SCHEMBL20576296

SCHEMBL20576296

O=C(CCCl)Nc1ccc(Br)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
FDFT1 P37268 1/20 0.43
CASP3 P42574 1/20 0.43
CASP2 P42575 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL17673062 0.87 MAPT (0.65) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL1736045 0.81 MEN1 (0.46) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL31241142 0.81 SMN1; SMN2 (0.71) MAPTSMN1; SMN2RAB9ALMNAALDH1A1
SCHEMBL30253337 0.81 KMT2A (0.48) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL3298488 0.81 KMT2A (0.48) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL7930779 0.80 HDAC1 (0.48) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL1483637 0.78 HDAC1 (0.50) MEN1MAPTKMT2AKDM4ESMN1; SMN2
SCHEMBL21459993 0.78 FDFT1 (0.49) MEN1MAPTKMT2AKDM4ENPC1
SCHEMBL11720766 0.78 KMT2A (0.68) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1483225 0.77 AR (0.53) MEN1MAPTKMT2AKDM4ESMN1; SMN2

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
WO-2018219478-A1 HETEROARYL-CARBOXAMIDES AS HISTONE DEMETHYLASE INHIBITORS ORYZON GENOMICS, S.A. (ES) 2018-12-06 WO disclosed