SCHEMBL10857249

SCHEMBL10857249

COc1ccc(/C=C2\CCn3c2nc2cc(NC(=O)/C(Cl)=C(/Cl)C(=O)O)ccc2c3=O)cc1OC

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.68
KMT2A Q03164 7/20 0.68
RAB9A P51151 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 1/20 0.68
NPC1 O15118 1/20 0.65
POLB P06746 2/20 0.59
ALDH1A1 P00352 1/20 0.59
THRB P10828 1/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALOX5 P09917 2/20 0.55
NME2 P22392 3/20 0.51

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
SCHEMBL10857266 1.00 MEN1 (0.68) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10857273 1.00 MEN1 (0.68) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10856266 0.93 MEN1 (0.73) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10856275 0.93 MEN1 (0.73) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10849851 0.92 ALOX5 (0.60) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10849926 0.92 ALOX5 (0.60) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10849882 0.92 ALOX5 (0.60) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10854727 0.90 KMT2A (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10854721 0.90 KMT2A (0.54) MEN1KMT2ARAB9AKDM4EMAPT
SCHEMBL10854723 0.90 KMT2A (0.54) MEN1KMT2ARAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579847-A Amino derivatives of benzylidene-pyrrolo[2,1-b]quinazolines useful for treating conditions of allergic origin FARMITALIA CARLO ERBA S.P.A. (IT) 1986-04-01 US disclosed