SCHEMBL6202413

SCHEMBL6202413

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

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
CXCR4 P61073 1/20 0.38
NR3C1 P04150 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER2 P43116 1/20 0.38
CCKBR P32239 1/20 0.37
POLA1 P09884 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.36
MAOB P27338 1/20 0.36
CCR1 P32246 1/20 0.36
GSK3B P49841 1/20 0.36

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
SCHEMBL6201234 0.95 MCL1 (0.42) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6201656 0.92 MCL1 (0.44) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6199074 0.92 MCL1 (0.44) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6199253 0.92 MCL1 (0.44) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6201979 0.92 MCL1 (0.52) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6202261 0.91 MCL1 (0.41) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6203244 0.90 MCL1 (0.42) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6198581 0.90 MCL1 (0.48) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6198666 0.89 MCL1 (0.42) MCL1EGLN1LMNATUBBCXCR4
SCHEMBL6200550 0.89 MCL1 (0.44) MCL1EGLN1LMNATUBBCXCR4

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