SCHEMBL29343397

SCHEMBL29343397

COC(=O)c1ccc(NCc2cc(Cl)cc(OC)c2)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ POLB P06746 1/20 0.50
▸ MAPT P10636 9/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ PTGER4 P35408 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HCAR3 P49019 2/20 0.47

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
SCHEMBL31072780 1.00 KMT2A (0.50) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL12004226 0.85 MAPT (0.56) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL4537985 0.85 MAPT (0.62) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL8024498 0.85 MAPT (0.53) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29342739 0.85 MAPT (0.59) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL31072813 0.85 MAPT (0.59) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL29343403 0.82 MAPT (0.49) MAPTALDH1A1LMNAPTGER4GAA
SCHEMBL4542148 0.81 LMNA (0.53) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL5361493 0.81 MAPT (0.70) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL28544871 0.81 HTT (0.53) KMT2AMEN1MAPTALDH1A1RAB9A

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-2024151519-A2 PPARG MODULATORS UNIVERSITY OF FLORIDA RESEARCH FOUNDATIN, INCORPORATED (US) 2024-07-18 — — WO disclosed
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