SCHEMBL8616267

SCHEMBL8616267

NC(=Nc1ccccc1)NC(=O)c1ccnc2cccc(Cl)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 3/20 0.47
SCNN1A P37088 1/20 0.47
KDM4E B2RXH2 4/20 0.43
HPGD P15428 2/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
GMNN O75496 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
NFKB1 P19838 1/20 0.43
THPO P40225 1/20 0.43
STAT6 P42226 1/20 0.43
RECQL P46063 1/20 0.43
PMP22 Q01453 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PREP P48147 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
SCHEMBL8615787 0.95 SMN1; SMN2 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8613364 0.87 PIK3CA (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8617728 0.87 RAB9A (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8616601 0.86 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8618940 0.86 ADORA2A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8615871 0.84 ADORA2A (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8620636 0.83 NPC1 (0.49) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8620901 0.82 ALDH1A1 (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8614069 0.82 ADORA2A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8618659 0.81 NPC1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726254-B1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS (JP) 1998-05-06 EP disclosed
US-5627193-A MEDICAL DIAGNOSIS, CARDIOVASCULAR DIAORDERS AND PROTECTION OF ORGANS FOR TRANSPLANTATION MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0726254-A1 Quinoline-4-carbonylguanidine derivates, process for producing the same and pharmaceutical preparations containing the compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-08-14 EP disclosed