SCHEMBL6201826

SCHEMBL6201826

CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.57
MAPT P10636 10/20 0.54
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
KDM4E B2RXH2 3/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
THRB P10828 1/20 0.45
MAPK10 P53779 1/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31255110 0.87 MAPT (0.47) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL26632758 0.87 MAPT (0.47) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL11240555 0.86 THRB (0.57) TP53MAPTKDM4EKMT2AMEN1
SCHEMBL441793 0.86 TP53 (0.56) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL730189 0.84 MAPK1 (0.46) TP53MAPTRXFP1KMT2AMEN1
SCHEMBL14358395 0.83 DPP4 (0.52) MAPTPOLBRXFP1KDM4EKMT2A
SCHEMBL10202031 0.82 TP53 (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL5025887 0.82 GABRP (0.41) TP53MAPTPOLBRXFP1KDM4E
SCHEMBL31251364 0.81 KMT2A (0.49) TP53MAPTKDM4EKMT2AMEN1
SCHEMBL10433191 0.80 KMT2A (0.46) TP53MAPTPOLBRXFP1KDM4E

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP disclosed
EP-1042295-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2000-10-11 EP disclosed
US-6093732-A PREVENT HERPESVIRAL INFECTIONS, PARTICULARLY, HUMAN CYTOMEGALOVIRAL INFECTION PHARMACIA & UPJOHN COMPANY (US) 2000-07-25 US disclosed
WO-1999032450-A1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 1999-07-01 WO disclosed