SCHEMBL6203567

SCHEMBL6203567

O=C(NCc1ccc(Cl)cc1)c1cnc2c(S(=O)(=O)NCCc3ccccn3)cc(F)cc2c1O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TUBB P07437 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
SCHEMBL6201109 0.93 MCL1 (0.47) MCL1KDM4EHPGDEGLN1POLB
SCHEMBL6200333 0.90 MCL1 (0.48) MCL1EGLN1LMNAMAPTKMT2A
SCHEMBL6201656 0.90 MCL1 (0.44) MCL1EGLN1LMNAMAPTKMT2A
SCHEMBL6199253 0.89 MCL1 (0.44) MCL1HPGDEGLN1LMNAKMT2A
SCHEMBL6202136 0.88 SMN1; SMN2 (0.45) MCL1KDM4EHPGDEGLN1POLB
SCHEMBL6199190 0.87 MCL1 (0.47) MCL1KDM4EEGLN1LMNAALDH1A1
SCHEMBL6198666 0.87 MCL1 (0.42) MCL1EGLN1LMNAMAPTKMT2A
SCHEMBL6199074 0.87 MCL1 (0.44) MCL1HPGDEGLN1LMNAALDH1A1
SCHEMBL6202650 0.87 MCL1 (0.39) MCL1EGLN1LMNAMAPTKMT2A
SCHEMBL6201979 0.87 MCL1 (0.52) MCL1KDM4EHPGDEGLN1POLB

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