SCHEMBL15624244

SCHEMBL15624244

CCC(=O)NCCSSCCNC(=O)C[n+]1ccc(/C=C/c2ccc(N3CCC(O)C3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ WDR91 A4D1P6 3/20 0.33
▸ ABL1 P00519 1/20 0.32
▸ RORC P51449 3/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ PHGDH O43175 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ PRKAG1 P54619 1/20 0.31
▸ PRKAA1 Q13131 1/20 0.31
▸ PRKAB1 Q9Y478 1/20 0.31
▸ HTT P42858 1/20 0.30
▸ MAPT P10636 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL3823383 0.95 WDR91 (0.35) WDR91ABL1RORCPRKAG1PRKAA1
SCHEMBL3823380 0.95 WDR91 (0.35) WDR91ABL1RORCPRKAG1PRKAA1
Hydrochloric Acid SCHEMBL3386424 0.94 WDR91 (0.34) WDR91ABL1RORCPRKAG1PRKAA1
SCHEMBL13327498 0.90 HDAC3 (0.34) SMN1; SMN2WDR91MAPTLMNAL3MBTL1
SCHEMBL18774368 0.86 PHGDH (0.34) SMN1; SMN2WDR91RORCOPRD1PHGDH
SCHEMBL18774306 0.86 HDAC3 (0.32) SMN1; SMN2HTTMAPTLMNAL3MBTL1
SCHEMBL18774288 0.86 — —
SCHEMBL13327503 0.83 HDAC3 (0.31) —
SCHEMBL13799703 0.82 — —
SCHEMBL18774277 0.81 — —

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-2053094-B1 Composition for dyeing keratinous fibres comprising at least one direct dye with disulphur/thiol function and at least one polymer with thiol function and method using the composition OREAL (FR) 2014-03-26 — — EP disclosed
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