SCHEMBL9214044

SCHEMBL9214044

N#CN=C(NCCc1ccc(N)cc1)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GBA1 P04062 1/20 0.43
GAA P10253 1/20 0.43
EPHX2 P34913 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCL6 P41182 1/20 0.38
HDAC1 Q13547 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HIF1A Q16665 1/20 0.37
TBXA2R P21731 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
SCHEMBL9214502 0.89 KMT2A (0.61) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9211754 0.88 MAPT (0.64) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9211486 0.82 KMT2A (0.51) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9211853 0.81 EPHX2 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9502986 0.80 THRB (0.45) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9214036 0.77 SMN1; SMN2 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9214042 0.77 SMN1; SMN2 (0.40) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8750753 0.77 P2RX7 (0.48) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL9209217 0.77 LMNA (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9216085 0.76 RAB9A (0.41) KMT2AMEN1NPC1RAB9ASMN1; SMN2

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 5 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
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