SCHEMBL18774335

SCHEMBL18774335

C=CC(/C=C/c1ccc(N(C)C)cc1)=C\C=N\CC(=O)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 4/20 0.35
▸ KDM2A Q9Y2K7 4/20 0.35
▸ HSD17B3 P37058 1/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC7 Q8WUI4 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC10 Q969S8 2/20 0.34
▸ HDAC11 Q96DB2 2/20 0.34
▸ HDAC8 Q9BY41 2/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ HDAC9 Q9UKV0 2/20 0.34
▸ HDAC5 Q9UQL6 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33

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
SCHEMBL16281742 0.95 KDM4A (0.32) KDM4AKDM2AHSD17B3KMT2AHDAC3
SCHEMBL13875519 0.90 KDM4A (0.30) KDM4AKDM2A
SCHEMBL16281753 0.89 — —
SCHEMBL16070446 0.89 — —
SCHEMBL13695043 0.85 PTGS2 (0.36) KMT2AHDAC3HDAC4HDAC1HDAC7
SCHEMBL19649248 0.84 — —
SCHEMBL13875544 0.83 HDAC3 (0.30) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL10104225 0.82 KDM4A (0.47) KDM4AKDM2AHSD17B3KMT2AHDAC3
SCHEMBL13799703 0.82 — —
SCHEMBL19649076 0.81 HDAC3 (0.33) KMT2AHDAC3HDAC4HDAC1HDAC7

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
EP-2677996-B1 COMPOSITION FOR DYEING KERATINOUS FIBRES COMPRISING A DIRECT DYE HAVING A DISULPHIDE/THIOL FUNCTIONAL GROUP, A THICKENING POLYMER, AN ETHOXYLATED FATTY ALCOHOL AND/OR A NONIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-11-29 — — EP disclosed
EP-2677995-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A NONIONIC SURFACTANT, AN AMPHOTERIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT L'ORÉAL (FR) 2017-04-26 — — EP disclosed
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