SCHEMBL31224836

SCHEMBL31224836

COC(=O)c1cc(-c2ccc3[nH]nnc3n2)cc([N+](=O)[O-])c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ AHR P35869 1/20 0.42
▸ MAPT P10636 4/20 0.41
▸ RECQL P46063 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CASP3 P42574 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
Lithium Ion SCHEMBL31224930 0.86 SMN1; SMN2 (0.38) KMT2AMEN1LMNAHPGDMAPT
SCHEMBL31224735 0.85 KMT2A (0.46) KMT2AMEN1LMNAHPGDAHR
SCHEMBL31224632 0.82 ATAD2 (0.43) HPGDMAPTPOLBALDH1A1SMN1; SMN2
SCHEMBL31224620 0.81 GABRG2 (0.48) HPGDMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL31225030 0.79 CYP11B2 (0.47) ALDH1A1GAA
SCHEMBL31224643 0.78 POLB (0.46) KMT2AMEN1LMNAHPGDAHR
SCHEMBL8413415 0.74 HTT (0.56) KMT2AMEN1HPGDMAPTRECQL
SCHEMBL310242 0.73 MAPT (0.53) KMT2AMEN1LMNAMAPTRECQL
SCHEMBL8413418 0.72 HTT (0.51) KMT2AMEN1MAPTRECQLPOLB
Lithium Ion SCHEMBL31224915 0.71 SMN1; SMN2 (0.39) KMT2AMEN1LMNAMAPTIRAK4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4676926-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184650-A1 BICYCLIC HETEROARYL COMPOUNDS FOR USE AS GPR35 MODULATORS. ThirtyFiveBio Limited (GB) 2024-09-12 — — WO disclosed
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