SCHEMBL31554591

SCHEMBL31554591

C=C(C)c1nn(C)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ GAA P10253 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ GPR35 Q9HC97 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SMN1; SMN2 Q16637 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
SCHEMBL13106231 0.78 TDP1 (0.48) TDP1GAAL3MBTL1ALDH1A1POLB
SCHEMBL31554686 0.77 GAA (0.48) TDP1GAAL3MBTL1ALDH1A1POLB
SCHEMBL31230971 0.77 TDP1 (0.47) TDP1GAAL3MBTL1ALDH1A1GPR35
SCHEMBL25270235 0.77 TDP1 (0.47) TDP1GAAL3MBTL1ALDH1A1GPR35
SCHEMBL31330879 0.77 TDP1 (0.47) TDP1GAAL3MBTL1ALDH1A1POLB
SCHEMBL13106351 0.74 TDP1 (0.44) TDP1GAAL3MBTL1ALDH1A1POLB
SCHEMBL31554720 0.72 TDP1 (0.39) TDP1GAAL3MBTL1ALDH1A1GPR35
SCHEMBL31554646 0.72 TDP1 (0.39) TDP1GAAL3MBTL1ALDH1A1GPR35
SCHEMBL25598078 0.70 CYP1A2 (0.55) TDP1GAAL3MBTL1ALDH1A1POLB
SCHEMBL31254097 0.70 LMNA (0.52) TDP1GAAL3MBTL1ALDH1A1POLB

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-2025096706-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 — — WO disclosed
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