SCHEMBL31728402

SCHEMBL31728402

COC(=O)c1cc(Br)cc(-c2cccc(Cl)c2C)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NR4A2 P43354 2/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90AB1 P08238 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL31728745 0.81 SLC6A3 (0.40) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL31727784 0.78 MEN1 (0.38) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL10180406 0.73 PDGFRB (0.43) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL2211359 0.73 KMT2A (0.50) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL10180602 0.70 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL3939940 0.70 PDGFRB (0.49) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL23089980 0.70 GAA (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL31160526 0.70 GAA (0.44) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL305861 0.69 MEN1 (0.49) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL13561974 0.69 SMN1; SMN2 (0.49) KMT2AMEN1LMNAALDH1A1SMN1; 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
WO-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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