SCHEMBL8614007

SCHEMBL8614007

CCOc1ccc2c(C(=O)NC(=N)N)cc(-c3ccccc3)nc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.57
RAB9A P51151 5/20 0.57
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
HPGD P15428 3/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
TACR3 P29371 5/20 0.56
TP53 P04637 3/20 0.56
POLB P06746 1/20 0.54
ALOX12 P18054 1/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
KLF5 Q13887 1/20 0.54
HTT P42858 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 2/20 0.52

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
SCHEMBL8615878 0.93 KDM4E (0.55) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8616493 0.89 TACR3 (0.71) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8613384 0.87 KDM4E (0.48) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8612697 0.85 TACR3 (0.66) RAB9AKDM4EALDH1A1SMN1; SMN2NPC1
SCHEMBL8617733 0.83 CYP3A4 (0.58) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL8619650 0.82 TSHR (0.55) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8617743 0.82 CYP3A4 (0.65) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8618610 0.82 LMNA (0.63) LMNARAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL8615933 0.82 CYP3A4 (0.52) LMNAKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL8615206 0.82 CYP3A4 (0.52) LMNAKDM4EALDH1A1SMN1; SMN2HPGD

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