SCHEMBL8946636

SCHEMBL8946636

O=C(O)c1ccc(-c2ccccc2)nc1-c1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
KMT2A Q03164 3/20 0.46
NR4A2 P43354 2/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
SMO Q99835 1/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PPARA Q07869 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP2A6 P11509 1/20 0.43
EIF4E P06730 1/20 0.43
ALPL P05186 1/20 0.42
MEN1 O00255 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
PDE10A Q9Y233 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
SCHEMBL8946524 0.82 ALDH1A1 (0.66) ALDH1A1KMT2ANR4A2KDM4EPOLB
SCHEMBL8946514 0.80 KMT2A (0.54) ALDH1A1KMT2AKDM4EHPGDLMNA
SCHEMBL8946541 0.78 CNR1 (0.45) ALDH1A1KMT2APOLBNPC1RAB9A
SCHEMBL10900818 0.77 ALDH1A1 (0.64) ALDH1A1KMT2ASMOKDM4ESMN1; SMN2
SCHEMBL8946509 0.77 L3MBTL1 (0.60) ALDH1A1KMT2AKDM4EPOLBSMN1; SMN2
SCHEMBL12978561 0.75 RXFP1 (0.42) ALDH1A1KMT2ASMOKDM4EPPARA
SCHEMBL15467864 0.74 KDM4E (0.66) ALDH1A1KMT2AKDM4ESMN1; SMN2MEN1
SCHEMBL17964400 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4ESMN1; SMN2NPC1
SCHEMBL5189312 0.74 CNR1 (0.48) ALDH1A1KMT2ANR4A2RXRARXRB
SCHEMBL6206542 0.73 KDM4E (0.65) ALDH1A1KMT2AKDM4ESMN1; SMN2RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5500424-A ENZYME INHIBITORS NIHON NOHYAKU CO., LTD. (JP) 1996-03-19 US disclosed
EP-0638557-A1 N-phenylpyri(mi)dine-N'-phenyl-urea derivatives, their preparation and their use as ACAT inhibitors NIHON NOHYAKU CO., LTD. (JP) 1995-02-15 EP disclosed