SCHEMBL9157818

SCHEMBL9157818

C[Si](C)(O)c1ccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(c4ccc([Si](C)(C)O)cc4)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.49
▸ CA1 P00915 5/20 0.49
▸ CA12 O43570 4/20 0.49
▸ CA2 P00918 4/20 0.45
▸ ESR1 P03372 4/20 0.43
▸ ESR2 Q92731 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ CA4 P22748 1/20 0.38

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
SCHEMBL9277775 0.88 ESR1 (0.43) CA9CA1CA12CA2ESR1
SCHEMBL25969208 0.83 ESR1 (0.64) CA9CA1CA12CA2ESR1
SCHEMBL22199971 0.82 CA9 (0.59) CA9CA1CA12CA2ESR1
SCHEMBL13819250 0.81 CA9 (0.47) CA9CA1CA12CA2ESR1
SCHEMBL12352479 0.81 ESR1 (0.56) CA9CA1CA12CA2ESR1
SCHEMBL13460950 0.80 ESR1 (0.55) CA9CA1CA12CA2ESR1
SCHEMBL29906097 0.80 ESR1 (0.55) CA9CA1CA12CA2ESR1
SCHEMBL25161435 0.80 CA9 (0.71) CA9CA1CA12CA2ALDH1A1
SCHEMBL9160469 0.80 CA9 (0.50) CA9CA1CA12CA2ESR1
SCHEMBL12260131 0.80 ALDH1A1 (0.51) CA9CA1CA12CA2ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3068587-A — — None — — JP disclosed
EP-0402632-B1 Aromatic polyimide silanol compounds, precursors and polymers thereof HUGHES AIRCRAFT CO (US) 1995-03-08 — — EP disclosed
US-5021585-A Engineering thermoplastics; good optics, heat and oxidation resistance HUGHES AIRCRAFT COMPANY (US) 1991-06-04 — — US disclosed
JP-H0368587-A AROMATIC POLYIMIDOSILANOL, ITS PRECURSOR AND POLYMER THEREOF HUGHES AIRCRAFT CO 1991-03-25 — — JP disclosed
EP-0402632-A2 Aromatic polyimide silanol compounds, precursors and polymers thereof Hughes Aircraft Company (US) 1990-12-19 — — EP disclosed
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