SCHEMBL4785451

SCHEMBL4785451

CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.72
USP2 O75604 2/20 0.72
TP53 P04637 1/20 0.72
RECQL P46063 1/20 0.72
HSD17B10 Q99714 1/20 0.72
LMNA P02545 4/20 0.57
MAPT P10636 3/20 0.57
HTT P42858 3/20 0.57
KDM4E B2RXH2 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
GLA P06280 1/20 0.57
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL4741642 0.90 MAPT (0.64) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4743444 0.88 USP2 (0.54) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4742099 0.86 LMNA (0.55) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4742591 0.81 THRB (0.72) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4742620 0.79 THRB (0.64) LMNAMAPTHTTKDM4ENPSR1
SCHEMBL22396176 0.79 MAPT (0.59) TP53LMNAMAPTNPSR1MEN1
SCHEMBL13262174 0.79 MEN1 (0.48) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4742621 0.78 USP2 (0.45) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL4742558 0.77 USP2 (0.44) MAPK1USP2TP53RECQLHSD17B10
SCHEMBL16637247 0.77 USP2 (0.49) MAPK1USP2TP53RECQLHSD17B10

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
WO-2008093940-A1 QUINOLINE DERIVATIVES AS CASPASE-3 INHIBITOR, PREPARATION PROCESS FOR THE SAME AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2008-08-07 WO disclosed