SCHEMBL31412211

SCHEMBL31412211

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ PKM P14618 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ RECQL P46063 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ TDO2 P48775 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ ERN1 O75460 1/20 0.34
▸ MAPK1 P28482 2/20 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
SCHEMBL31355698 0.80 CTSB (0.38) MAPTALDH1A1TDP1PKMKDM4E
SCHEMBL31412243 0.78 — —
SCHEMBL31412213 0.74 MAPT (0.34) MAPTALDH1A1TDP1PKMKDM4E
SCHEMBL31491019 0.74 — —
SCHEMBL30699763 0.68 — —
SCHEMBL11207240 0.67 ALOX15 (0.45) MAPTALDH1A1TDP1KDM4EMEN1
SCHEMBL18496986 0.66 ATM (0.48) MAPTALDH1A1TDP1PKMERN1
SCHEMBL5756956 0.66 NQO2 (0.50) MAPTALDH1A1TDP1PKMKDM4E
SCHEMBL23830087 0.66 TDP1 (0.44) MAPTALDH1A1TDP1PKMKDM4E
SCHEMBL29460022 0.66 TDP1 (0.44) MAPTALDH1A1TDP1PKMKDM4E

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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