SCHEMBL31435883

SCHEMBL31435883

COc1cc(Br)c(Cl)c(C(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.39
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CYP1A1 P04798 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ EGFR P00533 1/20 0.31

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
SCHEMBL17693530 0.82 CA1 (0.55) CA1CA2ALDH1A1GAALMNA
SCHEMBL10335075 0.82 CA1 (0.55) CA1CA2ALDH1A1GAALMNA
SCHEMBL21526735 0.80 ALDH1A1 (0.53) CA1CA2ALDH1A1GAALMNA
SCHEMBL15180065 0.80 CA1 (0.53) CA1CA2ALDH1A1GAALMNA
SCHEMBL31179923 0.79 CA2 (0.61) CA1CA2ALDH1A1GAALMNA
SCHEMBL5090250 0.78 CA2 (0.55) CA1CA2ALDH1A1GAALMNA
SCHEMBL5090529 0.76 CA2 (0.77) CA1CA2ALDH1A1GAALMNA
SCHEMBL27809731 0.76 CA1 (0.53) CA1CA2ALDH1A1GAALMNA
SCHEMBL29466255 0.74 ALDH1A1 (0.46) CA1CA2ALDH1A1GAALMNA
SCHEMBL264987 0.74 ALDH1A1 (0.46) CA1CA2ALDH1A1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119874729-A Boron-containing condensed compound for light-emitting device and organic electroluminescent device 北京鼎材科技有限公司 2025-04-25 — — CN disclosed
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