SCHEMBL6200243

SCHEMBL6200243

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCc3ccccc3Sc3ccccc3CO)cc(F)cc2c1O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.45
TUBB P07437 1/20 0.40
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
STAMBP O95630 1/20 0.36
COPS5 Q92905 1/20 0.36
NR3C1 P04150 2/20 0.36
CXCR4 P61073 1/20 0.36
CNR2 P34972 1/20 0.36
KCNA5 P22460 1/20 0.35
POLA1 P09884 1/20 0.35

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
SCHEMBL6199205 0.89 TUBB (0.43) MCL1TUBBCA2CA4EGLN1
SCHEMBL6201217 0.88 MCL1 (0.47) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6201979 0.88 MCL1 (0.52) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6199567 0.86 MCL1 (0.44) MCL1TUBBCA2EGLN1LMNA
SCHEMBL6199253 0.84 MCL1 (0.44) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6201109 0.84 MCL1 (0.47) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6197449 0.84 MCL1 (0.48) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6198581 0.84 MCL1 (0.48) MCL1TUBBEGLN1LMNAALDH1A1
SCHEMBL6200211 0.84 MCL1 (0.48) MCL1TUBBCA2EGLN1LMNA
SCHEMBL6200333 0.83 MCL1 (0.48) MCL1TUBBEGLN1LMNAALDH1A1

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