SCHEMBL31444693

SCHEMBL31444693

COc1cc2cc([N+](=O)[O-])ccc2n2ccnc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ LMNA P02545 4/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KDR P35968 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.40
▸ PKM P14618 3/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTK2 Q05397 1/20 0.38

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
SCHEMBL8136927 0.73 CYP1A2 (0.51) LMNATDP1ALDH1A1SLC6A2CYP19A1
SCHEMBL21774717 0.69 CYP1A2 (0.55) HTTLMNATDP1ALDH1A1CYP19A1
SCHEMBL29893296 0.69 PARP1 (0.56) ALDH1A1KMT2AAPOBEC3G
SCHEMBL15218938 0.69 ALDH1A1 (0.51) HTTLMNATDP1L3MBTL1ALDH1A1
SCHEMBL29873912 0.69 TDP1 (0.48) HTTLMNATDP1ALDH1A1PKM
SCHEMBL23250124 0.69 TDP1 (0.48) HTTLMNATDP1ALDH1A1PKM
SCHEMBL31554564 0.69 PDGFRA (0.46) LMNAPDGFRBPDGFRAKDRALDH1A1
SCHEMBL31444630 0.68 ALDH1A1 (0.51) HTTLMNAPDGFRBPDGFRATDP1
SCHEMBL17505196 0.68 CFTR (0.47) HTTLMNATDP1ALDH1A1CYP19A1
SCHEMBL20267291 0.65 HTT (0.48) HTTLMNATDP1ALDH1A1CYP19A1

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-2025096710-A1 MODULATORS OF BCL6 AS LIGAND DIRECTED DEGRADERS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-05-08 — — WO disclosed
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