SCHEMBL31602178

SCHEMBL31602178

Nc1cc([N+](=O)[O-])cc(Nc2ccccc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.54
▸ MEN1 O00255 7/20 0.54
▸ MAPT P10636 6/20 0.54
▸ LMNA P02545 1/20 0.54
▸ GFER P55789 1/20 0.52
▸ HPGD P15428 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ABCG2 Q9UNQ0 3/20 0.50
▸ ABCC1 P33527 2/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ ROCK1 Q13464 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.47
▸ RIPK1 Q13546 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CXCR2 P25025 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GLA P06280 2/20 0.45

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
SCHEMBL31602195 0.82 KMT2A (0.54) KMT2AMEN1MAPTLMNAGFER
SCHEMBL25371875 0.75 KMT2A (0.60) KMT2AMEN1MAPTLMNAGFER
SCHEMBL4666246 0.74 ROCK1 (0.62) KMT2AMEN1MAPTLMNAHPGD
Trinitrophenol SCHEMBL10532350 0.72 MEN1 (0.47) KMT2AMEN1MAPTLMNAGFER
SCHEMBL30488025 0.72 RAB9A (0.69) KMT2AMEN1MAPTABCG2ROCK1
SCHEMBL15305715 0.72 RAB9A (0.69) KMT2AMEN1MAPTABCG2ROCK1
SCHEMBL2409631 0.70 MAPT (0.53) KMT2AMEN1MAPTLMNAGFER
Diphenylamine SCHEMBL6373876 0.70 ALOX12 (0.79) KMT2AMEN1MAPTLMNAGFER
SCHEMBL913813 0.70 MEN1 (1.00) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL27927838 0.70 MAPT (0.79) KMT2AMEN1MAPTLMNAGFER

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-2025109475-A1 SHP-1 AGONISTS DANA-FARBER CANCER INSTITUTE, INC. (US) 2025-05-30 — — WO disclosed
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