SCHEMBL9214530

SCHEMBL9214530

N#CN=C(NCCc1ccccc1)c1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
PKM P14618 1/20 0.54
CFTR P13569 1/20 0.49
NPC1 O15118 2/20 0.46
MGAM O43451 1/20 0.46
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
ADORA2A P29274 1/20 0.40
PIK3CA P42336 1/20 0.39
PREP P48147 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL9210922 0.79 NPC1 (0.63) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9211506 0.78 HSD17B10 (0.42) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9214516 0.77 CFTR (0.45) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9214523 0.77 CFTR (0.45) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9214502 0.76 KMT2A (0.61) RAB9AKDM4ESMN1; SMN2MEN1ALDH1A1
SCHEMBL9210616 0.74 ABCB1 (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL9212124 0.73 MGAM (0.48) RAB9AKDM4ESMN1; SMN2MEN1MAPT
SCHEMBL9212136 0.73 MGAM (0.48) RAB9AKDM4ESMN1; SMN2MEN1MAPT
SCHEMBL9212059 0.72 GPR52 (0.42) RAB9ASMN1; SMN2ALDH1A1NPC1HDAC1
SCHEMBL9208893 0.72 GPR52 (0.43) RAB9ASMN1; SMN2NPC1HDAC2LMNA

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