SCHEMBL31444686

SCHEMBL31444686

COc1cc2cc([N+](=O)[O-])ccc2[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.55
GRIA2 P42262 1/20 0.55
GRIA3 P42263 1/20 0.55
GRIA4 P48058 1/20 0.55
CYP19A1 P11511 2/20 0.50
CTSV O60911 1/20 0.50
CTSL P07711 1/20 0.50
HTT P42858 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
PARP1 P09874 2/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
AMY1A P0DUB6 2/20 0.45
HRH4 Q9H3N8 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
MAOB P27338 1/20 0.44
NOS1 P29475 1/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44

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
SCHEMBL9389366 0.83 CTSV (0.58) GRIA1GRIA2GRIA3GRIA4CTSV
SCHEMBL30881338 0.81 PTGS2 (0.46) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL29203295 0.81 PTGS2 (0.46) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL14722450 0.80 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL30066709 0.80 CYP19A1 (0.54) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL31154578 0.78 GRIA1 (0.57) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL24207597 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL20267527 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL30881362 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1
SCHEMBL29533215 0.77 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4CYP19A1

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