SCHEMBL31490139

SCHEMBL31490139

N#CC1COc2ccc([N+](=O)[O-])cc2N1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ CASP4 P49662 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ CASP9 P55211 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ CASP8 Q14790 1/20 0.41
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ ACHE P22303 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KAT2B Q92831 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL23769124 1.00 KMT2A (0.41) KMT2APOLBCASP1CASP3CASP4
SCHEMBL25138303 0.83 POLB (0.46) KMT2APOLBCASP1CASP3CASP4
SCHEMBL31490161 0.81 DRD2 (0.40) ACHERAB9A
SCHEMBL23769091 0.81 DRD2 (0.40) ACHERAB9A
SCHEMBL28914142 0.80 KMT2A (0.41) KMT2APOLBCASP1CASP3CASP4
SCHEMBL23769068 0.79 POLB (0.40) KMT2APOLBCASP1CASP3CASP4
SCHEMBL31490180 0.79 KMT2A (0.42) KMT2APOLBCASP1CASP3CASP4
SCHEMBL29979518 0.79 POLB (0.40) KMT2APOLBCASP1CASP3CASP4
SCHEMBL31490100 0.76 KMT2A (0.38) KMT2APOLBCASP1CASP3CASP4
SCHEMBL23769065 0.76 KMT2A (0.38) KMT2APOLBCASP1CASP3CASP4

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-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 — — CN disclosed
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