SCHEMBL8616490

SCHEMBL8616490

CCC(C)COc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TP53 P04637 1/20 0.44
PLA2G2A P14555 1/20 0.43
PDE10A Q9Y233 1/20 0.43
ACP1 P24666 7/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACA Q13085 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
SCHEMBL8617062 0.90 PDE10A (0.44) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8619445 0.87 PLA2G2A (0.46) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8619736 0.86 DHODH (0.47) PDE10AACP1
SCHEMBL8617940 0.85 PLA2G2A (0.48) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8614164 0.84 ALDH1A1 (0.45) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8616024 0.84 ACP1 (0.46) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8615352 0.84 PDE10A (0.52) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8620711 0.83 ACP1 (0.60) LMNAKDM4EALDH1A1HPGDACP1
SCHEMBL8619756 0.83 PLA2G2A (0.54) LMNARAB9AKDM4ENPC1ALDH1A1
SCHEMBL8615222 0.82 TACR3 (0.35) LMNARAB9AKDM4EALDH1A1HPGD

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