SCHEMBL29277495

SCHEMBL29277495

CC(C)Nc1ccncc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 2/20 0.51
▸ AOC3 Q16853 2/20 0.51
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ LATS1 O95835 1/20 0.37
▸ LATS2 Q9NRM7 1/20 0.37
▸ HIPK2 Q9H2X6 1/20 0.37
▸ TP53 P04637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4C Q9H3R0 2/20 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
SCHEMBL21540857 0.78 AOC1 (0.53) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL6871548 0.77 — —
SCHEMBL16884493 0.76 AOC1 (0.56) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL29376653 0.76 AOC1 (0.56) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL5768195 0.76 AOC1 (0.51) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL26240072 0.76 AOC1 (0.51) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL19766580 0.73 AOC1 (0.58) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL23792402 0.73 AOC1 (0.57) AOC1AOC3LATS1LATS2HIPK2
SCHEMBL21621161 0.73 AOC1 (0.49) AOC1AOC3CA12CA1CA2
SCHEMBL30068379 0.73 AOC1 (0.49) AOC1AOC3LATS1LATS2HIPK2

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-117295726-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2023-12-26 — — CN disclosed
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