SCHEMBL7301079

SCHEMBL7301079

CC1(C)C=C(n2cccc([N+](=O)[O-])c2=O)c2cccnc2O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
LMNA P02545 1/20 0.34
PAX8 Q06710 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PDE10A Q9Y233 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
KMT2A Q03164 1/20 0.32
RELA Q04206 1/20 0.32
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL7291250 0.85 MAPT (0.35) LMNAALDH1A1TDP1NPC1RAB9A
SCHEMBL7288963 0.83 NPC1 (0.33) LMNAALDH1A1TDP1NPC1RAB9A
SCHEMBL7300527 0.83 TDP1 (0.33) LMNAALDH1A1TDP1POLBSMN1; SMN2
SCHEMBL7293126 0.83 MET (0.35) METCYP1A2CYP2C9LMNAPAX8
SCHEMBL7348702 0.82 MEN1 (0.30) LMNAMEN1KMT2AMAPT
SCHEMBL7292929 0.82 NPBWR1 (0.30)
SCHEMBL7291289 0.80 CCNC (0.34) CYP1A2CYP2C9LMNAALDH1A1POLB
SCHEMBL7299122 0.80 IDO1 (0.32) TDP1POLBMAPTHSD11B1
SCHEMBL7299515 0.80 KDM4E (0.33) CYP1A2CYP2C9ALDH1A1POLBKMT2A
SCHEMBL7293398 0.79 KDM4E (0.35) LMNAALDH1A1TDP1POLBNPC1

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
EP-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed