SCHEMBL6202215

SCHEMBL6202215

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCC(O)CO)cc(F)cc2c1O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.42
TUBB P07437 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CXCR4 P61073 1/20 0.36
NR3C1 P04150 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGER2 P43116 1/20 0.36
ALOX5AP P20292 2/20 0.36
FEN1 P39748 2/20 0.36
CNR2 P34972 2/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
POLA1 P09884 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
SCHEMBL6202255 0.91 MCL1 (0.44) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6201979 0.90 MCL1 (0.52) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6199253 0.88 MCL1 (0.44) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6196113 0.88 MCL1 (0.47) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6202212 0.87 TUBB (0.41) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6199074 0.86 MCL1 (0.44) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6201656 0.86 MCL1 (0.44) MCL1TUBBEGLN1LMNACXCR4
SCHEMBL6203051 0.85 LMNA (0.44) MCL1TUBBEGLN1LMNACYP1A2
SCHEMBL6198581 0.85 MCL1 (0.48) MCL1TUBBEGLN1LMNAHPGD
SCHEMBL6202413 0.85 MCL1 (0.43) MCL1TUBBEGLN1LMNACYP1A2

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