SCHEMBL6199737

SCHEMBL6199737

NC(=O)CNS(=O)(=O)c1cc(F)cc2c(O)c(C(=O)NCc3ccc(Cl)cc3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.40
TUBB P07437 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CXCR4 P61073 1/20 0.38
NR3C1 P04150 1/20 0.38
CCR1 P32246 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
POLA1 P09884 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37

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) MCL1EGLN1LMNATUBBKDM4E
SCHEMBL6200211 0.90 MCL1 (0.48) MCL1EGLN1LMNATUBBKDM4E
SCHEMBL6200195 0.89 MCL1 (0.43) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6201656 0.89 MCL1 (0.44) MCL1EGLN1LMNATUBBNPSR1
SCHEMBL6199253 0.89 MCL1 (0.44) MCL1EGLN1LMNATUBBALDH1A1
SCHEMBL6199074 0.89 MCL1 (0.44) MCL1EGLN1LMNATUBBALDH1A1
SCHEMBL6196859 0.88 LMNA (0.42) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6203051 0.88 LMNA (0.44) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6197449 0.88 MCL1 (0.48) MCL1EGLN1LMNATUBBKDM4E
SCHEMBL6198581 0.88 MCL1 (0.48) MCL1EGLN1LMNATUBBKDM4E

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