SCHEMBL31442188

SCHEMBL31442188

O=S(=O)(Oc1cc2ccccc2cc1O)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA9 Q16790 3/20 0.39
HSD11B1 P28845 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ESR2 Q92731 1/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TTR P02766 1/20 0.35
HSD17B3 P37058 1/20 0.35
CXCR2 P25025 1/20 0.35
CA5A P35218 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL16332676 0.83 GPR84 (0.39) CA1CA2CA9HSD11B1ADORA2A
SCHEMBL20017913 0.81 ADORA2A (0.38) CA1CA2CA9HSD11B1ADORA2A
SCHEMBL6937413 0.80 HSD11B1 (0.50) CA1CA2CA9HSD11B1HPGD
SCHEMBL6852343 0.79 NQO1 (0.46) CA1CA2CA9HSD11B1ADORA2A
SCHEMBL8770833 0.79 CA1 (0.43) CA1CA2CA9HPGDKDM4E
SCHEMBL26870524 0.79 GPR84 (0.50) CA1CA2CA9ADORA2AADORA1
SCHEMBL4456112 0.78 IRAK4 (0.52) CA1CA2HSD11B1ADORA2AADORA1
SCHEMBL2654823 0.78 NQO2 (0.49) CA1CA2CA9HSD11B1ADORA2A
SCHEMBL6937631 0.77 GPR84 (0.45) CA1CA2CA9ADORA2AADORA1
SCHEMBL2656359 0.76 NQO2 (0.43) HSD11B1ADORA2AADORA1HPGDKDM4E

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
CN-119330919-A Preparation method of 8-bromo-6-phenylnaphtho [2,1-b ] benzofuran 中钢天源股份有限公司 2025-01-21 CN claimed
CN-119330919-A Preparation method of 8-bromo-6-phenylnaphtho [2,1-b ] benzofuran 中钢天源股份有限公司 2025-01-21 CN disclosed
CN-119330919-A Preparation method of 8-bromo-6-phenylnaphtho [2,1-b ] benzofuran 中钢天源股份有限公司 2025-01-21 CN disclosed