SCHEMBL31602195

SCHEMBL31602195

O=[N+]([O-])c1cc(Br)nc(Nc2ccccc2)c1

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
▸ HSP90AA1 P07900 1/20 0.54
▸ 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
▸ RIPK1 Q13546 1/20 0.46
▸ GFER P55789 1/20 0.46
▸ CXCR2 P25025 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GLA P06280 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ POLB P06746 2/20 0.45
▸ GAA P10253 1/20 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
SCHEMBL31602178 0.82 KMT2A (0.54) KMT2AMEN1MAPTLMNAHSP90AA1
SCHEMBL25371875 0.75 KMT2A (0.60) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL220662 0.74 CYP19A1 (0.50) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL31602134 0.71 MAPT (0.41) KMT2AMEN1MAPTLMNAABCG2
SCHEMBL13737025 0.71 SYK (0.46) MAPTLMNAKDM4EALDH1A1RAB9A
Ammonia Solution, Strong SCHEMBL28007719 0.70 CYP19A1 (0.46) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL913813 0.70 MEN1 (1.00) KMT2AMEN1MAPTLMNAHPGD
SCHEMBL5864975 0.70 TSHR (0.48) KMT2AMEN1MAPTLMNAABCG2
SCHEMBL29664408 0.70 TSHR (0.48) KMT2AMEN1MAPTLMNAABCG2
SCHEMBL11156657 0.69 KMT2A (0.79) KMT2AMEN1MAPTLMNAHSP90AA1

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
Send feedback