SCHEMBL8612632

SCHEMBL8612632

N=C(N)NC(=O)c1cc(-c2ccccc2C2CCC2)nc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
DHODH Q02127 1/20 0.44
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
TACR3 P29371 3/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 2/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL8613389 0.98 DHODH (0.47) MEN1KMT2ADHODHKDM4EALDH1A1
SCHEMBL8617800 0.83 TACR3 (0.46) MEN1KMT2ADHODHKDM4EALDH1A1
SCHEMBL8617803 0.81 MEN1 (0.52) MEN1KMT2AKDM4EALDH1A1CACNA1B
SCHEMBL8613898 0.81 KMT2A (0.60) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL8616412 0.81 TACR3 (0.57) MEN1KMT2AKDM4EALDH1A1CACNA1B
SCHEMBL8620865 0.81 TACR3 (0.46) MEN1KMT2ADHODHKDM4EALDH1A1
SCHEMBL8613209 0.80 DHODH (0.43) MEN1KMT2ADHODHKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8614019 0.80 TACR3 (0.56) MEN1KMT2AKDM4EALDH1A1CACNA1B
SCHEMBL8620889 0.80 HTT (0.61) MEN1KMT2AKDM4EALDH1A1CACNA1B
Hydrochloric Acid SCHEMBL8619430 0.79 HTT (0.60) MEN1KMT2AKDM4EALDH1A1CACNA1B

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