SCHEMBL31412213

SCHEMBL31412213

O=[N+]([O-])c1cc(F)c2nc(Cl)nc(Cl)c2c1Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.34
▸ PKM P14618 2/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CASP6 P55212 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATM Q13315 1/20 0.33

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
SCHEMBL25330902 0.78 ALDH1A1 (0.35) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL31491045 0.78 — —
SCHEMBL31490996 0.77 — —
SCHEMBL31412230 0.75 — —
SCHEMBL31412211 0.74 MAPT (0.38) MAPTPKMALDH1A1MAPK1SMN1; SMN2
SCHEMBL31491032 0.74 — —
SCHEMBL30099309 0.72 CYP11B1 (0.30) —
SCHEMBL30699586 0.68 — —
SCHEMBL26094505 0.68 KEAP1 (0.44) MAPTPKMALDH1A1MAPK1TDP1
SCHEMBL25426062 0.66 ALDH1A1 (0.44) MAPTPKMALDH1A1MAPK1SMN1; SMN2

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-119591588-A RAS inhibitors 泰励生物科技(上海)有限公司 2025-03-11 — — CN disclosed
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