SCHEMBL8617772

SCHEMBL8617772

CC(=O)Nc1ccc2nccc(C(=O)NC(N)=Nc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
PABPC1 P11940 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
SMO Q99835 1/20 0.39
CLK1 P49759 1/20 0.39
ADORA2A P29274 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SCNN1A P37088 1/20 0.39
ACLY P53396 1/20 0.39
GMNN O75496 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL8612684 0.92 CSF1R (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8619427 0.88 MCHR1 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8613223 0.86 SMN1; SMN2 (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL8613854 0.85 SCN2A (0.44) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL8613677 0.84 SMN1; SMN2 (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8615687 0.84 RAB9A (0.42) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8617525 0.84 RAB9A (0.45) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL8614840 0.83 RAB9A (0.41) RAB9ANPC1KMT2AMAPTKDM4E
SCHEMBL8615499 0.83 ALDH1A1 (0.41) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL8617818 0.83 SMN1; SMN2 (0.46) RAB9ANPC1MEN1KMT2AMAPT

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