SCHEMBL8616705

SCHEMBL8616705

CCCCC(C)Oc1ccc(-c2cc(NC(=N)NC=O)c3ccccc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.44
PLA2G2A P14555 1/20 0.44
DHODH Q02127 1/20 0.43
CACNA2D1 P54289 1/20 0.42
TACR3 P29371 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE10A Q9Y233 1/20 0.40
MOK Q9UQ07 1/20 0.40

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
SCHEMBL8614839 0.86 TACR3 (0.45) ACP1PLA2G2ADHODHCACNA2D1TACR3
SCHEMBL8617940 0.84 PLA2G2A (0.48) ACP1PLA2G2ACACNA2D1KDM4ENPC1
SCHEMBL8619756 0.83 PLA2G2A (0.54) ACP1PLA2G2ADHODHKDM4ENPC1
SCHEMBL8618688 0.82 PLA2G2A (0.53) ACP1PLA2G2ADHODHKDM4ENPC1
SCHEMBL8616490 0.82 LMNA (0.45) ACP1PLA2G2AKDM4ENPC1ALDH1A1
SCHEMBL8620711 0.82 ACP1 (0.60) ACP1KDM4EALDH1A1LMNAMAPT
SCHEMBL8619445 0.82 PLA2G2A (0.46) ACP1PLA2G2AKDM4ENPC1ALDH1A1
SCHEMBL8617062 0.81 PDE10A (0.44) ACP1PLA2G2AKDM4ENPC1ALDH1A1
SCHEMBL8618949 0.81 DHODH (0.48) ACP1DHODHCACNA2D1PDE10A
SCHEMBL8614870 0.80 ACP1 (0.41) ACP1CACNA2D1TACR3KDM4EALDH1A1

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