SCHEMBL6201548

SCHEMBL6201548

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc(F)cc2c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
MCL1 Q07820 1/20 0.46
LMNA P02545 2/20 0.44
TACR1 P25103 1/20 0.43
CNR2 P34972 3/20 0.41
TUBB P07437 1/20 0.41
CXCR4 P61073 1/20 0.40
CCR1 P32246 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.39
DDR1 Q08345 1/20 0.39

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 0.93 MCL1 (0.52) MCL1LMNACNR2TUBBCXCR4
SCHEMBL6200211 0.89 MCL1 (0.48) MCL1LMNATUBBCXCR4EGLN1
SCHEMBL6198581 0.89 MCL1 (0.48) MCL1LMNATUBBCXCR4EGLN1
SCHEMBL6197449 0.89 MCL1 (0.48) MCL1LMNACNR2TUBBCXCR4
SCHEMBL6203051 0.89 LMNA (0.44) P2RX1TMPRSS4MCL1LMNACNR2
SCHEMBL6201545 0.88 P2RX1 (0.48) P2RX1TMPRSS4MCL1LMNATACR1
SCHEMBL6200416 0.87 MAPT (0.47) MCL1LMNACNR2EGLN1MAPT
SCHEMBL6199917 0.87 MCL1 (0.46) MCL1LMNACNR2TUBBCXCR4
SCHEMBL6201656 0.86 MCL1 (0.44) MCL1LMNATUBBCXCR4EGLN1
SCHEMBL6199253 0.86 MCL1 (0.44) MCL1LMNACNR2TUBBCXCR4

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