SCHEMBL6203051

SCHEMBL6203051

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MCL1 Q07820 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
CNR2 P34972 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.40
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
TUBB P07437 2/20 0.39
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.38
CXCR4 P61073 1/20 0.38
NR3C1 P04150 1/20 0.38
P2RX1 P51575 1/20 0.38
TMPRSS4 Q9NRS4 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 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 0.92 MCL1 (0.52) LMNAMCL1EGLN1CNR2CYP1A2
SCHEMBL6196859 0.91 LMNA (0.42) LMNAMCL1EGLN1CNR2SMN1; SMN2
SCHEMBL6201548 0.89 P2RX1 (0.48) LMNAMCL1EGLN1CNR2CYP1A2
SCHEMBL6201656 0.89 MCL1 (0.44) LMNAMCL1EGLN1TUBBMAPT
SCHEMBL6199074 0.89 MCL1 (0.44) LMNAMCL1EGLN1CNR2CYP1A2
SCHEMBL6199253 0.89 MCL1 (0.44) LMNAMCL1EGLN1CNR2CYP1A2
SCHEMBL6200211 0.88 MCL1 (0.48) LMNAMCL1EGLN1TUBBCXCR4
SCHEMBL6198581 0.88 MCL1 (0.48) LMNAMCL1EGLN1TUBBMAPT
SCHEMBL6202413 0.88 MCL1 (0.43) LMNAMCL1EGLN1CNR2CYP1A2
SCHEMBL6199737 0.88 MCL1 (0.43) LMNAMCL1EGLN1CNR2CYP1A2

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