SCHEMBL31728089

SCHEMBL31728089

COc1cc(C)c(Br)nc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ LMNA P02545 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ HPGD P15428 3/20 0.44
▸ S1PR4 O95977 7/20 0.42
▸ NPC1 O15118 5/20 0.40
▸ RAB9A P51151 5/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ HTT P42858 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL31727276 0.82 MAPT (0.45) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL10779236 0.80 ALDH1A1 (0.58) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL15570374 0.79 MAPT (0.51) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL31406159 0.76 MAPT (0.51) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL31727334 0.76 CYP1A2 (0.37) MAPTLMNAALDH1A1S1PR4NPC1
SCHEMBL29560142 0.75 MAPT (0.45) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL17045565 0.75 MAPT (0.46) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL17045570 0.75 HTT (0.46) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL26776153 0.75 MAPT (0.45) MAPTLMNAALDH1A1HPGDS1PR4
SCHEMBL31358001 0.72 MAPT (0.46) MAPTLMNAALDH1A1HPGDS1PR4

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
WO-2025231563-A1 SUBSTITUTED TRICYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
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