SCHEMBL9220559

SCHEMBL9220559

O=C(O)OC1CSc2ccc(F)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.43
NOTUM Q6P988 2/20 0.36
HTR2B P41595 5/20 0.34
HTR2C P28335 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP7 O15540 1/20 0.31
FABP5 Q01469 1/20 0.31
HSD17B3 P37058 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CCR3 P51677 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 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
SCHEMBL9218695 0.83 PTPN1 (0.40) KMT2AMEN1
SCHEMBL9213539 0.81 RYR2 (0.47)
SCHEMBL9219428 0.79 FABP7 (0.39) KMT2AKDM4EFABP7FABP5GAA
SCHEMBL9220554 0.78 MALT1 (0.45) MALT1NOTUMHTR2BHTR2CKDM4E
SCHEMBL9210918 0.74 MALT1 (0.43) MALT1NOTUMHTR2BHTR2CKDM4E
SCHEMBL9824427 0.72 CA1 (0.40) KDM4ESMN1; SMN2HSD17B3
SCHEMBL9209686 0.71 FABP7 (0.36) NOTUMFABP7FABP5
SCHEMBL9209494 0.70 MALT1 (0.38) MALT1NOTUMHTR2BHTR2C
SCHEMBL10656312 0.70 KMT2A (0.31) KMT2A
SCHEMBL1081511 0.67 FABP7 (0.56) KMT2ASMN1; SMN2FABP7FABP5MEN1

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
EP-0389425-B1 Benzotiopyranyl amines CIBA GEIGY AG (CH) 1995-04-26 EP disclosed
EP-0389425-A1 Benzotiopyranyl amines CIBA-GEIGY AG (CH) 1990-09-26 EP disclosed