SCHEMBL31359545

SCHEMBL31359545

COCc1cc2c(c(O)c1Br)CCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
PRKCE Q02156 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MYLK Q15746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCA P17252 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
NLRP3 Q96P20 7/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL30891958 0.74 MEN1 (0.41) MAPTMEN1KMT2ANLRP3L3MBTL1
SCHEMBL31166655 0.73 PRKCE (0.36) MAPTPRKCETDP1MYLKMEN1
SCHEMBL31359535 0.73 MAOB (0.39) TDP1NLRP3LMNA
SCHEMBL31359529 0.69 NLRP3 (0.37) MAPTPRKCETDP1MYLKMEN1
SCHEMBL31359530 0.69 NLRP3 (0.34) MAPTALDH1A1NLRP3PTGS2
SCHEMBL16597268 0.68 MAPT (0.35) MAPTMEN1KMT2ANLRP3GNG2
SCHEMBL12697423 0.67 CA2 (0.46) MAPTPRKCETDP1MYLKMEN1
SCHEMBL27747018 0.67 PTPN1 (0.63) MAPTPRKCETDP1MYLKMEN1
SCHEMBL2052981 0.67 MEN1 (0.41) MAPTMEN1KMT2AALDH1A1NLRP3
SCHEMBL23674358 0.65 MEN1 (0.35) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121586712-A Novel compounds 豪夫迈·罗氏有限公司 2026-02-27 CN disclosed
WO-2025026882-A1 NOVEL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2025-02-06 WO disclosed