SCHEMBL28003504

SCHEMBL28003504

COc1nc(N2CCOCC2)sc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.52
KMT2A Q03164 1/20 0.49
PIK3CD O00329 4/20 0.48
PIK3CA P42336 4/20 0.48
PIK3CB P42338 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
CETP P11597 1/20 0.41
PIK3CG P48736 3/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL28003497 0.82 KMT2A (0.51) ARKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL28003521 0.80 AR (0.56) ARKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL4850658 0.79 PIK3CD (0.61) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL28003501 0.78 KMT2A (0.44) ARKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL28003157 0.78 CETP (0.46) ARKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL16561758 0.76 AR (0.55) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL15349299 0.75 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL15348861 0.74 PIK3CD (0.52) ARKMT2APIK3CDPIK3CAPIK3CB
SCHEMBL4845510 0.72 AR (0.51) ARPIK3CDPIK3CAPIK3CBSMN1; SMN2
SCHEMBL26051147 0.72 AR (0.51) ARKMT2APIK3CDPIK3CAPIK3CB

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
CN-104583218-A Imidazothiadiazole and imidazopyrazine derivatives as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation BRISTOL MYERS SQUIBB CO 2015-04-29 CN disclosed