SCHEMBL8614832

SCHEMBL8614832

CCC(C)(C)COc1cccc2nc(-c3ccccc3C)cc(NC(=N)NC=O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
TACR3 P29371 1/20 0.33
HTT P42858 2/20 0.32
PDE10A Q9Y233 1/20 0.32
ATM Q13315 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 2/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NOTUM Q6P988 1/20 0.31
ADORA2A P29274 3/20 0.31
ADORA1 P30542 3/20 0.31
ACP1 P24666 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.30
UGCG Q16739 1/20 0.30

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
SCHEMBL8615341 0.90 MEN1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8618522 0.89 ABL1 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8617124 0.87 TLR8 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8613232 0.87 TACR3 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8615489 0.87 KCNH2 (0.35) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8619913 0.85 TGFBR1 (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8617965 0.83 NCF1 (0.33) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8620877 0.83 HTT (0.39) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8618132 0.82 DNMT1 (0.36) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8619973 0.81 TACR3 (0.34) MEN1KMT2AKDM4EALDH1A1HPGD

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