SCHEMBL6202657

SCHEMBL6202657

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MCL1 Q07820 1/20 0.42
NR3C1 P04150 1/20 0.40
CNR2 P34972 5/20 0.39
CNR1 P21554 2/20 0.39
EGLN1 Q9GZT9 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TUBB P07437 2/20 0.37
MEN1 O00255 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CXCR4 P61073 1/20 0.36
HPGD P15428 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 0.91 MCL1 (0.42) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6199253 0.90 MCL1 (0.44) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6199074 0.90 MCL1 (0.44) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6201656 0.90 MCL1 (0.44) LMNAMCL1NR3C1EGLN1TUBB
SCHEMBL6201979 0.90 MCL1 (0.52) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6201356 0.89 MCL1 (0.41) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6203244 0.89 MCL1 (0.42) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6202413 0.89 MCL1 (0.43) LMNAMCL1NR3C1CNR2EGLN1
SCHEMBL6199190 0.89 MCL1 (0.47) LMNAMCL1CNR2EGLN1ALDH1A1
SCHEMBL6200550 0.88 MCL1 (0.44) LMNAMCL1NR3C1CNR2EGLN1

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