SCHEMBL9212689

SCHEMBL9212689

CO/C(=N\C#N)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
GAA P10253 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC1 Q13547 1/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
TSHR P16473 2/20 0.38
APLNR P35414 1/20 0.38
CTSL P07711 2/20 0.37
MAPT P10636 1/20 0.37
DAO P14920 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL9212691 1.00 RAB9A (0.43) RAB9ANPC1GAAALDH1A1HSD17B10
SCHEMBL10265478 0.78 RAB9A (0.48) RAB9ANPC1GAAALDH1A1HSD17B10
SCHEMBL4572089 0.77 RAB9A (0.47) RAB9ANPC1GAAALDH1A1HSD17B10
SCHEMBL5642898 0.73 RAB9A (0.50) RAB9ANPC1GAAALDH1A1HSD17B10
SCHEMBL9211419 0.73 NOS1 (0.53) RAB9ANPC1KMT2ASMN1; SMN2CES2
SCHEMBL3455076 0.71 POLB (0.52) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL3455077 0.71 POLB (0.52) RAB9ANPC1GAAALDH1A1KMT2A
SCHEMBL27616301 0.70 RAB9A (0.40) RAB9ANPC1GAAALDH1A1HSD17B10
SCHEMBL9211615 0.69 MAPT (0.40) RAB9ANPC1GAAALDH1A1HDAC1
SCHEMBL9211607 0.69 MAPT (0.40) RAB9ANPC1GAAALDH1A1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP disclosed
US-5272164-A Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1993-12-21 US disclosed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed
US-5166347-A Hypotensive agents, cardiovascular disorders, antiischemic agents and anticoagulants KIRIN BEER KABUSHIKI KAISHA (JP) 1992-11-24 US disclosed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP disclosed