SCHEMBL6201217

SCHEMBL6201217

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCc3cccc4ccccc34)cc(F)cc2c1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.47
EGLN1 Q9GZT9 1/20 0.44
POLA1 P09884 1/20 0.42
TUBB P07437 1/20 0.41
CNR2 P34972 2/20 0.40
STAMBP O95630 1/20 0.40
COPS5 Q92905 1/20 0.40
GUSB P08236 3/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6201979 0.90 MCL1 (0.52) MCL1EGLN1POLA1TUBBCNR2
SCHEMBL6200243 0.88 MCL1 (0.45) MCL1EGLN1POLA1TUBBCNR2
SCHEMBL6199567 0.88 MCL1 (0.44) MCL1EGLN1TUBBCNR2LMNA
SCHEMBL6200152 0.88 MCL1 (0.42) MCL1EGLN1POLA1TUBBCNR2
SCHEMBL6196000 0.87 TUBB (0.45) MCL1EGLN1POLA1TUBBCNR2
SCHEMBL6201109 0.86 MCL1 (0.47) MCL1EGLN1TUBBLMNAALDH1A1
SCHEMBL6200211 0.86 MCL1 (0.48) MCL1EGLN1POLA1TUBBLMNA
SCHEMBL6198581 0.86 MCL1 (0.48) MCL1EGLN1TUBBLMNAALDH1A1
SCHEMBL6197449 0.86 MCL1 (0.48) MCL1EGLN1TUBBCNR2LMNA
SCHEMBL6204188 0.85 MCL1 (0.47) MCL1EGLN1POLA1TUBBCNR2

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