SCHEMBL9212698

SCHEMBL9212698

N#CN/C(=N\CCc1ccccc1)c1ccco1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.42
SCN2A Q99250 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HRH4 Q9H3N8 3/20 0.41
HRH2 P25021 2/20 0.41
HPGD P15428 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
NAMPT P43490 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HIF1A Q16665 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
ADRA2B P18089 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
SCHEMBL9212702 1.00 SCN5A (0.42) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL9208888 0.80 GPR52 (0.42) SCN5ASCN2ASMN1; SMN2HRH4HRH2
SCHEMBL9214373 0.80 GPR52 (0.42) SCN5ASCN2ASMN1; SMN2HRH4HRH2
SCHEMBL9210611 0.76 MEN1 (0.43) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL9210605 0.76 MEN1 (0.43) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL9217331 0.76 KMT2A (0.34) SMN1; SMN2RAB9ANPC1HPGDALDH1A1
SCHEMBL11188840 0.76 ALDH1A1 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL9214592 0.75 NPC1 (0.46) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL9216842 0.75 NPC1 (0.46) SCN5ASCN2ASMN1; SMN2RAB9ANPC1
SCHEMBL9212054 0.74 GPR52 (0.41) SCN5ASCN2ASMN1; SMN2HRH4HRH2

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