SCHEMBL30450626

SCHEMBL30450626

COc1ccc(C(NC=O)c2ccc(F)c(Br)c2F)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.46
▸ GAA P10253 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.34
▸ TAS1R1 Q7RTX1 1/20 0.34
▸ TAS1R2 Q8TE23 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MITF O75030 1/20 0.34
▸ TP53 P04637 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
SCHEMBL14381016 0.72 LMNA (0.50) HTTGAAALDH1A1MAPTKMT2A
SCHEMBL12445601 0.67 GAA (0.42) HTTGAAALDH1A1KMT2AMEN1
SCHEMBL2096165 0.66 CA12 (0.56) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL9320760 0.66 HTT (0.51) HTTGAAALDH1A1MAPTKMT2A
SCHEMBL2465466 0.66 ALDH1A1 (0.51) HTTGAAALDH1A1MAPTKMT2A
SCHEMBL28329244 0.64 ALDH1A1 (0.53) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL2219799 0.64 CA12 (0.62) GAAALDH1A1MAPTKMT2AMEN1
SCHEMBL27624871 0.64 CA12 (0.52) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL11439916 0.63 CA12 (0.56) ALDH1A1MAPTKMT2AMEN1APLNR
SCHEMBL6706944 0.63 CA12 (0.56) ALDH1A1MAPTKMT2AMEN1APLNR

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-116261562-A PI 3K-alpha inhibitors and methods of use thereof 传达治疗有限公司 2023-06-13 — — CN disclosed
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