SCHEMBL9220554

SCHEMBL9220554

O=C(O)C1CSc2ccc(F)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.45
NOTUM Q6P988 3/20 0.39
HTR2B P41595 5/20 0.36
HTR2C P28335 2/20 0.36
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B3 P37058 1/20 0.32
TSHR P16473 1/20 0.32
HTR2A P28223 1/20 0.32
HRH1 P35367 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
SCHEMBL9218692 0.81 SRD5A1 (0.36) MALT1SMN1; SMN2HSD17B3
SCHEMBL9213535 0.78 RYR2 (0.49) SMN1; SMN2
SCHEMBL9210918 0.78 MALT1 (0.43) MALT1NOTUMHTR2BHTR2CHTT
SCHEMBL9220559 0.78 MALT1 (0.43) MALT1NOTUMHTR2BHTR2CKDM4E
SCHEMBL6404425 0.77 RYR2 (0.41) NOTUMSMN1; SMN2
SCHEMBL4015666 0.76 PSEN1 (0.42) NOTUMHTTTSHR
SCHEMBL9209494 0.73 MALT1 (0.38) MALT1NOTUMHTR2BHTR2CHTR2A
SCHEMBL24440190 0.71 HDAC8 (0.42) NOTUMHTT
SCHEMBL31262473 0.71 HDAC8 (0.42) NOTUMHTT
SCHEMBL17443352 0.71 HTR1D (0.46) NOTUMHTR2CHTT

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