SCHEMBL7975763

SCHEMBL7975763

CCOC(=O)Nc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
TSHR P16473 1/20 0.53
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
KDM4E B2RXH2 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RAB9A P51151 1/20 0.45
MTNR1B P49286 1/20 0.45
GAA P10253 1/20 0.45
NLRP3 Q96P20 1/20 0.45

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
SCHEMBL31209988 0.87 SMN1; SMN2 (0.55) ALDH1A1TSHRHPGDKMT2AL3MBTL1
SCHEMBL20268520 0.86 KMT2A (0.54) ALDH1A1TSHRHPGDKMT2AL3MBTL1
SCHEMBL2220075 0.84 MEN1 (0.52) ALDH1A1HPGDKMT2AL3MBTL1MAPT
SCHEMBL2220068 0.84 MEN1 (0.52) ALDH1A1HPGDKMT2AL3MBTL1MAPT
SCHEMBL17926417 0.84 ALDH1A1 (0.66) ALDH1A1HPGDKMT2AL3MBTL1MAPT
SCHEMBL5369486 0.81 KMT2A (0.50) ALDH1A1KMT2AL3MBTL1MAPTKDM4E
SCHEMBL1420955 0.81 PKM (0.46) ALDH1A1KMT2AMAPTPKMHTT
SCHEMBL10893778 0.81 KMT2A (0.72) ALDH1A1TSHRHPGDKMT2AL3MBTL1
SCHEMBL2902495 0.79 ALDH1A1 (0.54) ALDH1A1KMT2AKDM4EPKMHTT
SCHEMBL2070257 0.77 PKM (0.78) ALDH1A1HPGDKMT2AMAPTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed