SCHEMBL8030997

SCHEMBL8030997

Oc1ccc2c(c1)SC=CN2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 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
SCHEMBL8941074 0.66 MAOA (0.55) MAOAMAOBDRD2DRD4
SCHEMBL8863082 0.63 MAOA (0.52) MAOAMAOBDRD2DRD4
SCHEMBL10532249 0.60 MAOA (0.49) MAOAMAOBDRD2DRD4
SCHEMBL14599092 0.60 DRD2 (0.46) MAOAMAOBDRD2DRD4
SCHEMBL5777740 0.60 DRD2 (0.33) MAOAMAOBDRD2DRD4
SCHEMBL299552 0.59 NOX1 (0.65) MAOAMAOB
SCHEMBL20418086 0.59 MAOA (0.40) MAOAMAOBDRD2DRD4
SCHEMBL4010994 0.54 DRD2 (0.59) MAOAMAOBDRD2DRD4
SCHEMBL23767923 0.50 CA12 (0.50) MAOAMAOBDRD2DRD4
SCHEMBL22972964 0.50 DRD2 (0.35) MAOAMAOBDRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666074-B1 Hair dyeing process with aminoalkylthio substituted dihydroxybenzene and oxidative agents BRISTOL MYERS SQUIBB CO (US) 2000-04-05 EP disclosed
EP-0666074-A1 Hair dyeing process with aminoalkylthio substituted dihydroxybenzene and oxidative agents Bristol-Myers Squibb Company (US) 1995-08-09 EP disclosed
US-5435810-A Hair dyeing process with aminoalkylthio substituted dihydroxybenzene and oxidative agents CLAIROL INCORPORATED (US) 1995-07-25 US disclosed