SCHEMBL8038664

SCHEMBL8038664

Oc1ccc2c(c1)CC=NS2

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.33
DRD4 P21917 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
DRD3 P35462 2/20 0.32
PRKCI P41743 1/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
OPRK1 P41145 1/20 0.31
ESR1 P03372 2/20 0.31
CYP19A1 P11511 1/20 0.30
CYP11B2 P19099 1/20 0.30
ESR2 Q92731 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
SCHEMBL8035459 0.86 MAOA (0.33) DRD2MAOAMAOBDRD3DRD1
SCHEMBL16685249 0.67 ESR1 (0.36) DRD2DRD4HSD17B10HSP90AA1MAOA
SCHEMBL28389785 0.66 ALDH1A1 (0.51) DRD2DRD4ALDH1A1LMNAHSD17B10
SCHEMBL9222878 0.63 CYP3A4 (0.39) DRD2DRD4ALDH1A1HSD17B10HSP90AA1
SCHEMBL8038672 0.63 DRD2 (0.32) DRD2DRD4ALDH1A1LMNAHSD17B10
SCHEMBL5422777 0.63 DRD2 (0.39) DRD2DRD4ALDH1A1LMNAHSD17B10
SCHEMBL27501961 0.60 ALDH1A1 (0.50) DRD2DRD4ALDH1A1LMNADRD3
SCHEMBL9119395 0.60 MAOA (0.43) DRD2DRD4MAOAMAOBDRD3
SCHEMBL11603388 0.60 DRD2 (0.42) DRD2DRD4HSD17B10MAOAMAOB
SCHEMBL3938438 0.60 DRD2 (0.42) DRD2DRD4HSD17B10MAOAMAOB

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-0661039-B1 Oxidative hair dyeing method, composition and kit utilizing hydroxyl substituted benzothiazines BRISTOL MYERS SQUIBB CO (US) 2000-04-05 EP disclosed
EP-0661039-A1 Oxidative hair dyeing method, composition and kit utilizing hydroxyl substituted benzothiazines Bristol-Myers Squibb Company (US) 1995-07-05 EP disclosed
US-5374288-A Oxidative hair dyeing method, composition, and kit utilizing hydroxyl substituted benzothiazines CLAIROL INCORPORATED (US) 1994-12-20 US disclosed