SCHEMBL19649257

SCHEMBL19649257

Nc1ccc(/C=C/c2cccc[n+]2CSS)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ STAT3 P40763 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CYP19A1 P11511 6/20 0.44
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ KDM4A O75164 2/20 0.40
▸ KDM2A Q9Y2K7 2/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ APP P05067 2/20 0.36
▸ GAA P10253 1/20 0.32
▸ PABPC1 P11940 1/20 0.32

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
SCHEMBL19649059 0.82 MEN1 (0.69) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL14393489 0.81 RAB9A (0.47) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL12657103 0.80 RAB9A (0.67) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL10104233 0.79 RAB9A (0.46) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL19649001 0.78 RAB9A (0.39) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL12657241 0.78 RAB9A (0.47) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL19649186 0.75 KDM4A (0.54) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL19649083 0.75 MEN1 (0.50) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL13043411 0.74 RAB9A (0.48) RAB9AMEN1NPC1KMT2AALDH1A1
SCHEMBL16070586 0.74 KDM4A (0.47) RAB9AMEN1NPC1KMT2AALDH1A1

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-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
Send feedback