SCHEMBL28994106

SCHEMBL28994106

COC(=O)C1CCCC1n1ccc(C=C[N+](=O)[O-])n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ FBP1 P09467 1/20 0.32
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ NLRP3 Q96P20 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ VCP P55072 1/20 0.31

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
SCHEMBL25607643 1.00 MAPT (0.33) MAPTALDH1A1RAB9AFBP1SLC6A2
SCHEMBL28994117 0.85 BRAF (0.32) MAPTALDH1A1RAB9AFBP1BRAF
SCHEMBL25607648 0.85 BRAF (0.32) MAPTALDH1A1RAB9AFBP1BRAF
SCHEMBL24618692 0.83 SLC6A2 (0.36) SLC6A2SLC6A4
SCHEMBL25607598 0.83 MAPT (0.37) MAPTALDH1A1RAB9AFBP1KDM4E
SCHEMBL28994477 0.80 FBP1 (0.35) MAPTALDH1A1FBP1KDM4E
SCHEMBL25607652 0.80 MAPT (0.36) MAPTALDH1A1RAB9AFBP1BRAF
SCHEMBL28994121 0.80 MAPT (0.36) MAPTALDH1A1RAB9AFBP1BRAF
SCHEMBL25213136 0.69 TLR4 (0.33) MAPTALDH1A1FBP1NLRP3KDM4E
SCHEMBL24618613 0.68 XDH (0.32) —

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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