SCHEMBL13924754

SCHEMBL13924754

CCCCCCCCC[n+]1ccc(/C=C/c2ccc(O)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 2/20 0.68
▸ KDM2A Q9Y2K7 2/20 0.68
▸ HTT P42858 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ KMT2A Q03164 3/20 0.58
▸ MAPT P10636 2/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ APAF1 O14727 2/20 0.58
▸ HSP90AA1 P07900 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ BLM P54132 1/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ CHAT P28329 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.53
▸ NPC1 O15118 1/20 0.53

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
SCHEMBL8080488 1.00 KDM4A (0.68) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL13046320 1.00 KDM4A (0.68) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL8080485 1.00 KDM4A (0.68) KDM4AKDM2AHTTMEN1KMT2A
Bromide SCHEMBL1594965 0.98 KDM4A (0.66) KDM4AKDM2AHTTMEN1KMT2A
Bromide SCHEMBL1594966 0.98 KDM4A (0.66) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL13924728 0.91 KDM4A (0.58) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL13924753 0.88 KDM4A (0.55) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL13924727 0.86 KDM4A (0.49) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL13698933 0.85 KDM4A (0.49) KDM4AKDM2AHTTMEN1KMT2A
SCHEMBL9453337 0.84 KMT2A (0.69) HTTMEN1KMT2AMAPTSMN1; 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
US-7488354-B2 Dyeing composition comprising at least one disulphide dye and method of dyeing human keratin fibers using this dye L'OREAL S.A. (FR) 2009-02-10 — — US disclosed
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