SCHEMBL6200211

SCHEMBL6200211

Nc1ccc(CNS(=O)(=O)c2cc(F)cc3c(O)c(C(=O)NCc4ccc(Cl)cc4)cnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.48
TUBB P07437 2/20 0.42
CXCR4 P61073 1/20 0.42
EGLN1 Q9GZT9 1/20 0.41
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 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
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NSD2 O96028 1/20 0.37
POLA1 P09884 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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 0.95 MCL1 (0.52) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6197449 0.91 MCL1 (0.48) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6198581 0.91 MCL1 (0.48) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6199737 0.90 MCL1 (0.43) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6201548 0.89 P2RX1 (0.48) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6200416 0.89 MAPT (0.47) MCL1EGLN1LMNACA2PTGER4
SCHEMBL6199917 0.89 MCL1 (0.46) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6199253 0.89 MCL1 (0.44) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6201656 0.89 MCL1 (0.44) MCL1TUBBCXCR4EGLN1LMNA
SCHEMBL6199074 0.89 MCL1 (0.44) MCL1TUBBCXCR4EGLN1LMNA

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