SCHEMBL3719953

SCHEMBL3719953

CC(C)(C)OCCCNC(=O)Nc1nc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2s1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.52
PIK3CG P48736 2/20 0.49
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
RXFP1 Q9HBX9 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
PIK3CA P42336 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL3710525 0.86 PIK3CA (0.55) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL3705975 0.85 ABL1 (0.59) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL3711260 0.84 ABL1 (0.54) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL3711773 0.82 ABL1 (0.56) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL13188976 0.81 ABL1 (0.55) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL13188408 0.81 ABL1 (0.58) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL13188978 0.81 ABL1 (0.52) ABL1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3807814 0.80 ABL1 (0.52) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL13189184 0.80 ABL1 (0.49) ABL1PIK3CGNPC1RAB9ASMN1; SMN2
SCHEMBL13188323 0.80 ABL1 (0.49) ABL1NPC1RAB9ASMN1; SMN2KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed
WO-2010100144-A1 FUSED BICYCLIC COMPOUNDS AS INHIBITORS FOR PI3 KINASE MERCK SERONO S.A. (CH) 2010-09-10 WO disclosed