SCHEMBL30469299

SCHEMBL30469299

COc1cccc(-c2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
RAB9A P51151 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
THRB P10828 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
KEAP1 Q14145 2/20 0.51
NFE2L2 Q16236 2/20 0.51
POLB P06746 1/20 0.51
IDO1 P14902 1/20 0.50
RECQL P46063 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
PKM P14618 1/20 0.48
PLK1 P53350 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 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
SCHEMBL20557346 1.00 MAPT (0.51) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL27659630 0.85 NFE2L2 (0.54) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL10373733 0.80 ALDH1A1 (0.58) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL22347901 0.79 PLK1 (0.57) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL7913090 0.79 NPC1 (0.51) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL959834 0.78 L3MBTL1 (0.52) MAPTALDH1A1POLBSMN1; SMN2KMO
SCHEMBL6435858 0.78 SLC6A4 (0.54) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL22206166 0.77 NPC1 (0.55) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL29838394 0.77 NPC1 (0.55) MAPTRAB9AALDH1A1NPC1THRB
SCHEMBL20557352 0.77 PDE4D (0.49) MAPTRAB9AALDH1A1NPC1KEAP1

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
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed