SCHEMBL9215336

SCHEMBL9215336

N#CN=C(Nc1ccccc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.53
CCR6 P51684 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GRM4 Q14833 7/20 0.49
KDR P35968 3/20 0.46
KDM4E B2RXH2 3/20 0.44
PKM P14618 3/20 0.43
MITF O75030 2/20 0.43
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
APP P05067 1/20 0.41

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
SCHEMBL9209875 0.86 RAB9A (0.63) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7959200 0.77 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL7959203 0.77 ALDH1A1 (0.50) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9218686 0.76 HTT (0.51) SMN1; SMN2KMT2AKCNK3POLBALDH1A1
SCHEMBL9216882 0.74 RAB9A (0.39) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9211155 0.73 SLC2A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL9217500 0.73 KDM4E (0.37) NPC1RAB9AKMT2AGRM4KDM4E
SCHEMBL1530634 0.72 GRM4 (0.72) NPC1RAB9ASMN1; SMN2MAPTGRM4
SCHEMBL23912944 0.71 POLB (0.53) NPC1RAB9ASMN1; SMN2KMT2AKDM4E
SCHEMBL31528539 0.71 POLB (0.53) NPC1RAB9ASMN1; SMN2KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0388528-B1 Carboximidamide derivatives KIRIN BREWERY (JP) 1995-09-27 EP claimed
US-5223508-A Hypotensive agents, vasodilators KIRIN BEER KABUSHIKI KAISHA (JP) 1993-06-29 US 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