SCHEMBL9211486

SCHEMBL9211486

N#CN=C(NCCc1ccc(NCc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
LTA4H P09960 1/20 0.46
BCL6 P41182 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPT P10636 1/20 0.43
GAA P10253 2/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TBXA2R P21731 1/20 0.39
TBXAS1 P24557 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
SCHEMBL9214502 0.90 KMT2A (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9211853 0.83 EPHX2 (0.63) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9211594 0.83 KEAP1 (0.52) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9211754 0.82 MAPT (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9214044 0.82 MAPT (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9596011 0.81 KMT2A (0.56) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9211481 0.80 LTA4H (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9214241 0.80 LTA4H (0.45) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9209217 0.78 LMNA (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL9210672 0.77 LMNA (0.47) 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 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