SCHEMBL9211481

SCHEMBL9211481

N#CN/C(=N\CCc1ccc(NCc2ccccc2)cc1)c1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.45
NAMPT P43490 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.41
EPHX2 P34913 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 3/20 0.39
HRH2 P25021 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
GAA P10253 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
SCHEMBL9214241 1.00 LTA4H (0.45) LTA4HNAMPTSMN1; SMN2EPHX2FFAR1
SCHEMBL6377119 0.90 EPHX2 (0.48) NAMPTSMN1; SMN2EPHX2ALDH1A1MEN1
SCHEMBL9214494 0.90 EPHX2 (0.48) NAMPTSMN1; SMN2EPHX2ALDH1A1MEN1
SCHEMBL9211848 0.86 EPHX2 (0.52) NAMPTSMN1; SMN2EPHX2MEN1NPC1
SCHEMBL9211842 0.86 EPHX2 (0.52) NAMPTSMN1; SMN2EPHX2MEN1NPC1
SCHEMBL9211746 0.82 SMN1; SMN2 (0.54) NAMPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9214042 0.82 SMN1; SMN2 (0.40) NAMPTSMN1; SMN2EPHX2MEN1NPC1
SCHEMBL9211741 0.82 SMN1; SMN2 (0.54) NAMPTSMN1; SMN2MEN1NPC1RAB9A
SCHEMBL9214036 0.82 SMN1; SMN2 (0.40) NAMPTSMN1; SMN2EPHX2MEN1NPC1
SCHEMBL9596007 0.81 GRIN1 (0.55) LTA4HSMN1; SMN2EPHX2FFAR1FFAR4

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