SCHEMBL21005807

SCHEMBL21005807

C/C=C(\N=C/CC)SCC[n+]1ccc(/C=C/c2cc3c4c(c2)CCCN4CCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL10104165 0.80 KMT2A (0.39) RAD52KMT2ARXFP1
SCHEMBL18102250 0.76 KDM4A (0.42) RAD52KMT2ARXFP1
SCHEMBL14392935 0.74 KMT2A (0.40) RAD52KMT2ARXFP1
SCHEMBL10104215 0.73 KMT2A (0.36) RAD52KMT2ARXFP1
SCHEMBL15460029 0.73 KMT2A (0.36) RAD52KMT2ARXFP1
SCHEMBL13695032 0.73 RAD52 (0.32) RAD52KMT2ARXFP1
SCHEMBL13428293 0.73 KMT2A (0.39) RAD52KMT2ARXFP1
SCHEMBL5679470 0.71 CHAT (0.43) RAD52KMT2ARXFP1
SCHEMBL26644390 0.70 KMT2A (0.35) RAD52KMT2ARXFP1
SCHEMBL15624281 0.70 RAB9A (0.38) RAD52KMT2ARXFP1

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-2677990-B1 COMPOSITION FOR DYEING KERATIN FIBRES COMPRISING A DIRECT DYE BEARING A DISULFIDE/THIOL FUNCTION, A SPARINGLY OR NON-ETHOXYLATED FATTY ALCOHOL, A CATIONIC SURFACTANT, AN ALKALINE AGENT AND A REDUCING AGENT OREAL (FR) 2019-05-15 — — EP disclosed
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