SCHEMBL7979884

SCHEMBL7979884

COc1ccc(Cn2c(=O)c3cncn3c3cc([N+](=O)[O-])ccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 8/20 0.68
GABRA1 P14867 6/20 0.56
PIK3R1 P27986 1/20 0.48
PIK3CA P42336 1/20 0.48

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
SCHEMBL7225842 0.81 GABRA5 (1.00) GABRA5GABRA1
SCHEMBL4036357 0.78 GABRA5 (0.80) GABRA5GABRA1
SCHEMBL7979757 0.75 MAPT (0.50) PIK3R1PIK3CA
SCHEMBL7969979 0.75 MAPT (0.50) PIK3R1PIK3CA
SCHEMBL17421084 0.74 GABRA5 (0.69) GABRA5GABRA1
SCHEMBL2865248 0.71 HTT (0.52) PIK3R1PIK3CA
SCHEMBL13025167 0.71 SRC (0.44) PIK3R1PIK3CA
SCHEMBL7032527 0.70 QPCT (0.53)
SCHEMBL20401101 0.70 GLS (0.57)
SCHEMBL2862612 0.70 IDO1 (0.56) PIK3R1PIK3CA

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
US-6235740-B1 AUTOIMMUNE DISEASES; ANTIPROLIFERATION AGENTS BRISTOL-MYERS SQUIBB CO. 2001-05-22 US disclosed