SCHEMBL9829469

SCHEMBL9829469

COC1(c2ccc(O)cc2)Sc2ccccc2N(C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.41
GPR55 Q9Y2T6 2/20 0.41
PKM P14618 2/20 0.41
CYP2C19 P33261 5/20 0.38
CYP2C9 P11712 2/20 0.38
MAOA P21397 1/20 0.36
LMNA P02545 1/20 0.35
ALDH1A1 P00352 5/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10669282 0.80 CNR1 (0.44) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9830460 0.80 CNR1 (0.44) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9831187 0.78 CNR1 (0.43) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9828953 0.77 CNR1 (0.42) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9831057 0.76 CNR1 (0.44) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9830720 0.76 MEN1 (0.45) PKMCYP2C19CYP2C9LMNAALDH1A1
SCHEMBL10672006 0.76 CHRM2 (0.46) CNR1GPR55LMNAALDH1A1HSD17B10
SCHEMBL9829132 0.75 CNR1 (0.40) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9831101 0.75 CNR1 (0.38) CNR1GPR55PKMCYP2C19MAOA
SCHEMBL9831468 0.73 CNR1 (0.41) CNR1GPR55PKMCYP2C19MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233291-B1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1991-03-13 EP disclosed
US-4739050-A CALCIUM ANTAGONIST, ANTICOAGULANT SANTEN PHARMACEUTICAL CO., LTD. (JP) 1988-04-19 US disclosed
EP-0233291-A1 2-ARYLBENZOTHIAZINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1987-08-26 EP disclosed