SCHEMBL8700995

SCHEMBL8700995

OCc1ccc(-n2ccnc2Cc2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
VHL P40337 1/20 0.42
ELOC Q15369 1/20 0.42
ELOB Q15370 1/20 0.42
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
ABL1 P00519 1/20 0.40
EGFR P00533 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL28173706 0.87 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
Benzene SCHEMBL20549155 0.87 L3MBTL1 (0.53) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9067047 0.84 CYP3A4 (0.44) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL28172467 0.83 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8698533 0.80 PDE4A (0.49) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4314558 0.79 PDE4A (0.47) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8702160 0.77 PDE4A (0.50) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8698318 0.77 MAPK9 (0.48) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL6435888 0.74 CYP19A1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL1046097 0.73 SMO (0.45) TSHRL3MBTL1CYP1A2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753682-A Imidazole lipoxygenase inhibitors PFIZER INC. (US) 1998-05-19 US disclosed
EP-0703913-B1 IMIDAZOLES AS LIPOXYGENASE INHIBITORS PFIZER (US) 1997-06-11 EP disclosed
EP-0703913-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER (US) 1996-04-03 EP disclosed
WO-1994029299-A1 IMIDAZOLE LIPOXYGENASE INHIBITORS PFIZER INC. (US) 1994-12-22 WO disclosed