SCHEMBL9212059

SCHEMBL9212059

N#CN=C(NCCc1ccccc1)c1ccsc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 1/20 0.42
RAB9A P51151 7/20 0.42
NPC1 O15118 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
CA12 O43570 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL9214596 0.78 SMN1; SMN2 (0.58) GPR52RAB9ANPC1SMN1; SMN2GAA
SCHEMBL9210616 0.78 ABCB1 (0.50) RAB9ANPC1SMN1; SMN2GAALMNA
SCHEMBL31538042 0.77 RAB9A (0.48) GPR52RAB9ANPC1SMN1; SMN2GAA
SCHEMBL9208893 0.76 GPR52 (0.43) GPR52RAB9ANPC1SMN1; SMN2GAA
SCHEMBL31530562 0.76 HDAC2 (0.60) GPR52RAB9ANPC1SMN1; SMN2TAAR1
SCHEMBL9596211 0.76 GPR52 (0.47) GPR52RAB9ANPC1SMN1; SMN2GAA
SCHEMBL9212709 0.75 SMN1; SMN2 (0.56) RAB9ANPC1SMN1; SMN2GAAALDH1A1
SCHEMBL9216833 0.75 GPR52 (0.41) GPR52SMN1; SMN2GAAALDH1A1ALOX12
SCHEMBL9214502 0.75 KMT2A (0.61) GPR52RAB9ANPC1SMN1; SMN2GAA
SCHEMBL9212054 0.75 GPR52 (0.41) GPR52SMN1; SMN2GAAALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
EP-0388528-A2 Carboximidamide derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1990-09-26 EP claimed
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
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