SCHEMBL7719084

SCHEMBL7719084

CCC([C]=O)c1cccnn1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.33
CYP1A2 P05177 1/20 0.33
P2RX7 Q99572 1/20 0.33
FAAH O00519 1/20 0.30

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
SCHEMBL949982 0.76 KCNA5 (0.46) CYP1A2
SCHEMBL7717140 0.76 CTDSP1 (0.36) CTDSP1CYP1A2P2RX7FAAH
SCHEMBL12469850 0.75 GOT1 (0.34) CTDSP1CYP1A2P2RX7FAAH
SCHEMBL22460414 0.73 TSHR (0.36) CTDSP1CYP1A2P2RX7
SCHEMBL8819171 0.73 TSHR (0.36) CTDSP1CYP1A2P2RX7
SCHEMBL12464826 0.73 TSHR (0.36) CTDSP1CYP1A2P2RX7
SCHEMBL7718073 0.72 P2RX7 (0.35) CTDSP1CYP1A2P2RX7FAAH
SCHEMBL26666923 0.69 KCNA5 (0.32) CTDSP1CYP1A2P2RX7FAAH
SCHEMBL27133573 0.69 TSHR (0.33) CTDSP1CYP1A2P2RX7
SCHEMBL2436106 0.69 P2RX7 (0.41) CTDSP1CYP1A2P2RX7FAAH

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
WO-2002087587-A2 4-AMINOSULFONYLQUINAZOLINES AND -QUINOLINES AS TYROSINE KINASE INHIBITORS CELLTECH R & D LIMITED (GB) 2002-11-07 WO disclosed