SCHEMBL11567016

SCHEMBL11567016

N#Cc1ccccc1CNc1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ CCNE1 P24864 4/20 0.42
▸ CDK2 P24941 4/20 0.42
▸ P2RX7 Q99572 1/20 0.41
▸ AGER Q15109 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ GFER P55789 1/20 0.38

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
SCHEMBL6550963 0.86 KDM4E (0.49) MAPTMEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL25796826 0.81 HPGD (0.50) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL19921051 0.80 CYP19A1 (0.40) MAPTMEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL28661673 0.80 BACE1 (0.51) MAPTMEN1KMT2AKDM4EHSD17B10
SCHEMBL25796823 0.80 ALDH1A1 (0.49) MAPTMEN1KMT2AMAPK1SMN1; SMN2
SCHEMBL6700006 0.79 P2RX7 (0.46) MAPTMEN1KMT2ASMN1; SMN2CYP19A1
SCHEMBL20291661 0.78 MEN1 (0.47) MAPTMEN1KMT2AMAPK1HTT
SCHEMBL11593195 0.76 MAPT (0.61) MAPTMEN1KMT2ACYP19A1P2RX7
Trifluoroacetic Acid SCHEMBL6551836 0.74 HIF1A (0.43) MAPTMEN1KMT2ALMNAHTT
SCHEMBL26988712 0.74 SMN1; SMN2 (0.46) MAPTMEN1KMT2ALMNASMN1; 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
EP-0001655-A2 Compositions comprising as active ingredients cyanobenzyl(idene)-aniline derivatives, the use of the compositions as plant growth regulants and a method for the preparation of the active ingredients SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-05-02 — — EP disclosed
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