SCHEMBL9209684

SCHEMBL9209684

O=C(O)C1CSc2c(F)cccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AADAT Q8N5Z0 1/20 0.33
POLB P06746 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
ALB P02768 1/20 0.32
MCL1 Q07820 1/20 0.32
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9209686 0.78 FABP7 (0.36) NOTUMCES2CES1AADAT
SCHEMBL7595980 0.78 MTNR1A (0.40) AADATMAPT
SCHEMBL12060765 0.74 NOTUM (0.37) NOTUMCES2CES1AADATPOLB
SCHEMBL30306223 0.73 DRD2 (0.45) NOTUMCES2CES1AADATNOS3
SCHEMBL6404425 0.73 RYR2 (0.41) NOTUMGAAMAPTMCL1KMT2A
SCHEMBL4014532 0.73 DRD2 (0.45) NOTUMCES2CES1AADATNOS3
SCHEMBL9220554 0.69 MALT1 (0.45) NOTUMTSHRSMN1; SMN2
SCHEMBL7598057 0.68 ACHE (0.40) POLBMAPTKMT2ALMNAHPGD
SCHEMBL289302 0.67 AKR1C3 (0.50) NOTUMCES2CES1GAAMAPT
SCHEMBL29443025 0.67 AKR1C3 (0.50) NOTUMCES2CES1GAAMAPT

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-0389425-B1 Benzotiopyranyl amines CIBA GEIGY AG (CH) 1995-04-26 EP disclosed
US-5071858-A Antipsychotic benzothiopyranylamines CIBA-GEIGY CORPORATION (US) 1991-12-10 US disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed