SCHEMBL28994099

SCHEMBL28994099

O=C(Oc1cccc(C=C[N+](=O)[O-])n1)C1CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ TLR4 O00206 3/20 0.38
▸ TLR2 O60603 3/20 0.38
▸ FBP1 P09467 7/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ RXRA P19793 1/20 0.35
▸ ELANE P08246 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ VCP P55072 1/20 0.32

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
SCHEMBL30320138 0.75 FBP1 (0.49) TLR4TLR2FBP1MAPTHSP90AA1
SCHEMBL25607531 0.75 FBP1 (0.49) TLR4TLR2FBP1MAPTHSP90AA1
SCHEMBL20815627 0.70 L3MBTL1 (0.47) L3MBTL1KMT2AMEN1RAB9AMAPT
SCHEMBL25607532 0.70 ALDH1A1 (0.51) L3MBTL1KMT2AMEN1RAB9AFBP1
SCHEMBL25213136 0.69 TLR4 (0.33) L3MBTL1KMT2AMEN1TLR4TLR2
SCHEMBL28994122 0.67 FBP1 (0.38) L3MBTL1KMT2AMEN1TLR4TLR2
SCHEMBL17708625 0.67 FBP1 (0.47) FBP1MAPTHSP90AA1RXRAVCP
SCHEMBL17708627 0.67 FBP1 (0.47) FBP1MAPTHSP90AA1RXRAVCP
SCHEMBL25607559 0.66 ALDH1A1 (0.39) RAB9ATLR4TLR2FBP1MAPT
SCHEMBL27830114 0.65 POLB (0.47) L3MBTL1KMT2AMEN1RAB9AMAPT

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-115867553-A Diaminopyrazolo [1,5-a ] pyrimidine-6-carbonitrile compounds as adenosine 2A receptor and adenosine 2B receptor antagonists 巴格沃克斯研究有限公司 2023-03-28 — — CN disclosed
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