SCHEMBL6202496

SCHEMBL6202496

O=C(NCc1ccc(Cl)cc1)c1cnc2c(F)cc(CCCCS(=O)(=O)O)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.41
CNR2 P34972 3/20 0.39
NR3C1 P04150 1/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 1/20 0.38
GSK3B P49841 1/20 0.38
POLA1 P09884 2/20 0.38
TUBB P07437 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2C19 P33261 3/20 0.37
HPGD P15428 2/20 0.37
CYP3A4 P08684 2/20 0.37
MAOB P27338 1/20 0.37
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP2D6 P10635 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL6201231 0.89 EGLN1 (0.44) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6201585 0.88 EGLN1 (0.43) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6200398 0.88 EGLN1 (0.44) EGLN1NR3C1LMNAPPARGGSK3B
SCHEMBL6200535 0.85 EGLN1 (0.42) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6201399 0.85 EGLN1 (0.42) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6199574 0.85 EGLN1 (0.39) EGLN1NR3C1LMNAPPARGGSK3B
SCHEMBL6668007 0.85 EGLN1 (0.45) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6197008 0.85 EGLN1 (0.41) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6200953 0.85 LMNA (0.45) EGLN1CNR2NR3C1LMNAPPARG
SCHEMBL6197114 0.84 EGLN1 (0.44) EGLN1CNR2NR3C1LMNAPPARG

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 1 patent. 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 claimed