SCHEMBL8618522

SCHEMBL8618522

CCCOc1cccc2nc(-c3ccccc3C)cc(NC(=N)NC=O)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 2/20 0.35
TLR8 Q9NR97 1/20 0.34
NCF1 P14598 1/20 0.34
TACR3 P29371 1/20 0.34
PTGER1 P34995 1/20 0.34
HTT P42858 4/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 3/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
PKM P14618 1/20 0.33
NLRP1 Q9C000 1/20 0.33
PDE5A O76074 1/20 0.33
DNMT1 P26358 1/20 0.33

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
SCHEMBL8617124 0.95 TLR8 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8615341 0.93 MEN1 (0.39) ABL1SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8613232 0.89 TACR3 (0.36) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL8617965 0.89 NCF1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8614832 0.89 MEN1 (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8619913 0.88 TGFBR1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8618132 0.87 DNMT1 (0.36) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8620877 0.85 HTT (0.39) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8615489 0.85 KCNH2 (0.35) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E
SCHEMBL8617704 0.85 KDM4E (0.33) SMN1; SMN2ALDH1A1MEN1KMT2AKDM4E

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