SCHEMBL8615448

SCHEMBL8615448

CC(C)CCCc1cccc2nccc(C(=O)NC(N)=Nc3ccccc3)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
RAB9A P51151 8/20 0.36
NPC1 O15118 7/20 0.36
SMN1; SMN2 Q16637 6/20 0.36
ALDH1A1 P00352 3/20 0.36
SCNN1A P37088 1/20 0.36
LMNA P02545 3/20 0.35
NFKB1 P19838 2/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
GMNN O75496 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
THPO P40225 1/20 0.35
STAT6 P42226 1/20 0.35
RECQL P46063 1/20 0.35
PMP22 Q01453 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL8617794 0.81 SCN2A (0.39) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8618129 0.80 ADORA2A (0.42) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8618940 0.80 ADORA2A (0.44) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8615871 0.79 ADORA2A (0.39) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8613364 0.78 PIK3CA (0.47) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8617728 0.78 RAB9A (0.43) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8616638 0.78 ADORA2A (0.38) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8616267 0.78 RAB9A (0.47) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8616601 0.78 RAB9A (0.47) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8618659 0.77 NPC1 (0.41) ADORA2ARAB9ANPC1SMN1; SMN2ALDH1A1

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