SCHEMBL6533272

SCHEMBL6533272

O=CCOn1c2ccccc2c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.38
GPR3 P46089 1/20 0.37
PTGER4 P35408 1/20 0.36
CYP19A1 P11511 1/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 2/20 0.35
IMPDH2 P12268 1/20 0.35
FABP3 P05413 1/20 0.35
BACE1 P56817 2/20 0.34
PTPN1 P18031 1/20 0.34
HBB P68871 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL27772278 0.72 LMNA (0.50) CYP1A2CYP2C19KDM4EATML3MBTL1
SCHEMBL28824473 0.69 GPR3 (0.43) CYP1A2CYP2C19KDM4EATML3MBTL1
SCHEMBL2763074 0.69 KDM4E (0.39) CYP1A2CYP2C19KDM4EGPR3POLB
SCHEMBL1429102 0.69 DAO (0.51) CYP1A2POLBALDH1A1
SCHEMBL13456337 0.68 CYP1A2 (0.56) CYP1A2CYP2C19KDM4EPTGER4CYP19A1
SCHEMBL17394563 0.68 GPR3 (0.50) CYP1A2CYP2C19KDM4EATML3MBTL1
SCHEMBL9908935 0.67 POLB (0.47) KDM4EPOLBALDH1A1FABP4FABP5
SCHEMBL5745721 0.67 HTR1B (0.47) CYP1A2CYP2C19KDM4EL3MBTL1GPR3
SCHEMBL5746680 0.67 HTR1B (0.44) CYP1A2CYP2C19KDM4EGPR3CYP19A1
SCHEMBL5745923 0.66 HTR1B (0.49) CYP1A2CYP2C19KDM4EGPR3PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed