SCHEMBL7292016

SCHEMBL7292016

CC(=O)C(=Cc1ccccc1)[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 5/20 0.65
PRMT1 Q99873 1/20 0.53
AKR1C3 P42330 1/20 0.50
RECQL P46063 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
GLO1 Q04760 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.42
GLA P06280 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
JAK2 O60674 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NTSR1 P30989 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9646130 1.00 FBP1 (0.65) FBP1PRMT1AKR1C3RECQLALDH1A1
SCHEMBL7299178 1.00 FBP1 (0.65) FBP1PRMT1AKR1C3RECQLALDH1A1
SCHEMBL11140787 0.85 FBP1 (0.58) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL6382677 0.85 FBP1 (0.58) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL42324 0.85 FBP1 (0.58) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL27897016 0.83 FBP1 (0.56) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL27867388 0.83 FBP1 (0.56) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL27883556 0.83 FBP1 (0.56) FBP1PRMT1AKR1C3SMN1; SMN2HTT
Hydrochloric Acid SCHEMBL4989759 0.83 FBP1 (0.56) FBP1PRMT1AKR1C3SMN1; SMN2HTT
SCHEMBL11360465 0.82 FBP1 (0.56) FBP1PRMT1AKR1C3RECQLALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164010-B1 3-NITRO-DIHYDROPYRIDINES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE BAYER AG (DE) 1989-02-22 EP claimed
EP-0139859-B1 1,4-DIHYDROPYRIDINES, METHOD FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BAYER AG (DE) 1988-10-19 EP claimed
EP-0164010-A2 3-Nitro-dihydropyridines, process for their preparation and their pharmaceutical use BAYER AG (DE) 1985-12-11 EP claimed
EP-0139859-A2 1,4-Dihydropyridines, method for their preparation and their use as medicaments BAYER AG (DE) 1985-05-08 EP claimed
CN-102603534-A New process for synthesizing p-nitrobenzaldehyde ZHENGMING ZHANG 2012-07-25 CN disclosed
CN-102190536-A Method for organically catalyzing asymmetric conjugated addition of ketene and organic phosphorus compound UNIV EAST CHINA SCIENCE & TECH 2011-09-21 CN disclosed
EP-0347678-B1 1,4-Dihydropyridine threonin derivatives and process for their preparation BAYER AG (DE) 1997-02-26 EP disclosed
EP-0628538-B1 Process for the acylation of threonine derivatives and their use in the preparation of 1,4-dihydropyridines BAYER AG (DE) 1997-01-22 EP disclosed
EP-0628538-A1 Process for the acylation of threonine derivatives and their use in the preparation of 1,4-dihydropyridines BAYER AG (DE) 1994-12-14 EP disclosed
US-5138091-A Chemical intermediate BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0308785-B1 DIHYDROPYRIDINE ETHERS, PROCESSES FOR THEIR PREPARATION AND THEIR UTILISATION BAYER AG (DE) 1992-05-13 EP disclosed
US-5017590-A 1,4-dihydropyridine-threonine compounds with cardiovascular activity BAYER AKTIENGESELLSCHAFT (DE) 1991-05-21 US disclosed
EP-0164010-A2 3-Nitro-dihydropyridines, process for their preparation and their pharmaceutical use BAYER AG (DE) 1985-12-11 EP disclosed
US-4537881-A 5-Nitro 1,4-dihydropyridines having a positive inotropic effect BAYER AKTIENGESELLSCHAFT (DE) 1985-08-27 US disclosed
EP-0139859-A2 1,4-Dihydropyridines, method for their preparation and their use as medicaments BAYER AG (DE) 1985-05-08 EP disclosed
EP-0139859-A2 1,4-Dihydropyridines, method for their preparation and their use as medicaments BAYER AG (DE) 1985-05-08 EP disclosed
EP-0034349-B1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, THE USE OF SAID DERIVATIVES AND A PHARMACEUTICAL COMPOSITION CONTAINING SAME Tanabe Seiyaku Co., Ltd. (JP) 1983-12-14 EP disclosed
US-4332809-A ANTIALLERGENS TANABE SEIYAKU CO., LTD. (JP) 1982-06-01 US disclosed
EP-0034349-A2 Novel pyridinecarboxamide derivatives, a process for the preparation thereof, the use of said derivatives and a pharmaceutical composition containing same Tanabe Seiyaku Co., Ltd. (JP) 1981-08-26 EP disclosed
US-4248873-A Nitro-substituted 1,4-dihydropyridines, processes for _their production and their medicinal use BAYER AKTIENGESELLSCHAFT (DE) 1981-02-03 US disclosed