SCHEMBL31451534

SCHEMBL31451534

Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1C

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.70
▸ THRB P10828 4/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ TP53 P04637 7/20 0.62
▸ PPARG P37231 4/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ NPC1 O15118 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ LMNA P02545 2/20 0.51
▸ TSHR P16473 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ APOBEC3A P31941 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL31451577 0.93 MAPT (0.70) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451514 0.92 MAPT (0.69) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451417 0.92 MAPT (0.69) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451706 0.90 MAPT (0.71) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451573 0.89 MAPT (0.66) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451675 0.86 MAPT (0.61) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451543 0.85 MAPT (0.64) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451567 0.85 MAPT (0.60) MAPTTHRBSMN1; SMN2TP53PPARG
SCHEMBL31451702 0.83 MAPT (0.69) MAPTTHRBSMN1; SMN2TP53KMT2A
SCHEMBL31451268 0.81 MAPT (0.67) MAPTTHRBSMN1; SMN2TP53KMT2A

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-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 — — WO disclosed
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