SCHEMBL8617525

SCHEMBL8617525

NC(=Nc1ccccc1)NC(=O)c1ccnc2ccc(N)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 4/20 0.45
ALDH1A1 P00352 3/20 0.45
SCNN1A P37088 1/20 0.45
KDM4E B2RXH2 4/20 0.41
LMNA P02545 3/20 0.41
RECQL P46063 2/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
GMNN O75496 1/20 0.41
CYP3A4 P08684 1/20 0.41
NFKB1 P19838 1/20 0.41
THPO P40225 1/20 0.41
STAT6 P42226 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PIK3CA P42336 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
SCHEMBL8615943 0.91 RAB9A (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8615687 0.88 RAB9A (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8613854 0.87 SCN2A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8615499 0.87 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8614840 0.87 RAB9A (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8617818 0.87 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8613677 0.84 SMN1; SMN2 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8616642 0.84 KDM4E (0.54) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8614062 0.84 SCN2A (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8620947 0.84 KDM4E (0.60) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E

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