SCHEMBL8615213

SCHEMBL8615213

NC(=Nc1ccccc1)NC(=O)c1ccnc2cc(O)ccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 4/20 0.42
SCNN1A P37088 1/20 0.42
ADORA2A P29274 1/20 0.40
KDM4E B2RXH2 5/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
RECQL P46063 2/20 0.39
GMNN O75496 1/20 0.39
CYP3A4 P08684 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
STAT6 P42226 1/20 0.39
PMP22 Q01453 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8615687 0.91 RAB9A (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8615943 0.88 RAB9A (0.45) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8617741 0.87 SCN2A (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8618237 0.87 ALK (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8619393 0.87 SMN1; SMN2 (0.46) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8614933 0.86 EGFR (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8616502 0.84 KDM4E (0.48) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL8616316 0.84 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8612684 0.84 CSF1R (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1SCNN1A
SCHEMBL8614015 0.83 ADRA2A (0.45) 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