SCHEMBL9830460

SCHEMBL9830460

CN1C(=O)C(O)(c2ccc(O)cc2)Sc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
GPR55 Q9Y2T6 2/20 0.44
PKM P14618 1/20 0.44
MAOA P21397 1/20 0.39
ALDH1A1 P00352 3/20 0.36
RAD52 P43351 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 4/20 0.35
MAPK1 P28482 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35

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 0.83 CNR1 (0.44) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9831187 0.82 CNR1 (0.43) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9828953 0.81 CNR1 (0.42) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9831057 0.80 CNR1 (0.44) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9829469 0.80 CNR1 (0.41) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9829132 0.79 CNR1 (0.40) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9831468 0.77 CNR1 (0.41) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9831101 0.76 CNR1 (0.38) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9831087 0.74 CNR1 (0.37) CNR1GPR55PKMMAOAALDH1A1
SCHEMBL9829983 0.73 CYP1A2 (0.40) CNR1GPR55PKMALDH1A1RAD52

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