SCHEMBL27686338

SCHEMBL27686338

CN1C(=O)SCC1c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
MDM2 Q00987 4/20 0.45
HSD17B2 P37059 4/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
RIPK1 Q13546 1/20 0.41
SLC6A3 Q01959 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL27705342 0.82 ALDH1A1 (0.44) CHRNA7MAOAMAOBALDH1A1TSHR
SCHEMBL27686323 0.82 ACHE (0.41) ALDH1A1TSHRACHE
SCHEMBL27686415 0.81 CHRNA7 (0.43) CHRNA7MAOAMAOBMDM2ALDH1A1
SCHEMBL16181380 0.73 MDM2 (0.48) CHRNA7MAOAMAOBMDM2HSD17B2
SCHEMBL27705354 0.72 CHRNA7 (0.41) CHRNA7MAOAMAOBHSD17B2ALDH1A1
SCHEMBL6985269 0.71 CHRNA7 (0.45) CHRNA7MAOAMAOBMDM2HSD17B2
SCHEMBL24775407 0.67 CHRNB2 (0.64) CHRNA7ALDH1A1MAPT
SCHEMBL13162079 0.67 CHRNB2 (0.64) CHRNA7ALDH1A1MAPT
SCHEMBL11618578 0.67 SLC6A3 (0.56) CHRNA7MDM2ALDH1A1MAPTHPGD
SCHEMBL10308839 0.67 MDM2 (0.47) CHRNA7MAOAMAOBMDM2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN claimed
CN-101132760-A Agent and method for colouring keratin fibres PROCTER & GAMBLE (US) 2008-02-27 CN disclosed