SCHEMBL8617818

SCHEMBL8617818

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.46
SCNN1A P37088 1/20 0.46
KDM4E B2RXH2 3/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HPGD P15428 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
NR4A2 P43354 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
SCHEMBL8614039 0.95 KDM4E (0.51) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8619393 0.91 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8615687 0.87 RAB9A (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8617525 0.87 RAB9A (0.45) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8613854 0.86 SCN2A (0.44) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8614840 0.86 RAB9A (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8615499 0.86 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8620947 0.84 KDM4E (0.60) SMN1; SMN2ALDH1A1RAB9ANPC1KDM4E
SCHEMBL8616642 0.84 KDM4E (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A
SCHEMBL8613677 0.84 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1RAB9ANPC1SCNN1A

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