SCHEMBL28089203

SCHEMBL28089203

Cc1cn(CCC(C)C#N)cn1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.35
PLAA Q9Y263 1/20 0.35
ALPG P10696 1/20 0.35
TSHR P16473 1/20 0.34
QPCT Q16769 14/20 0.34
CPB1 P15086 1/20 0.32
CPB2 Q96IY4 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
SCHEMBL672623 0.75 QPCT (0.39) ALPLPLAAALPGTSHRQPCT
SCHEMBL29162830 0.72 ALPL (0.32) ALPLPLAAALPG
SCHEMBL22504291 0.71 ALPL (0.36) ALPLPLAAALPGQPCTCPB1
SCHEMBL28924667 0.69 QPCT (0.39) ALPLPLAAQPCT
SCHEMBL24496205 0.69
SCHEMBL12448089 0.69 CPB2 (0.39) ALPLPLAAALPGTSHRQPCT
SCHEMBL8604979 0.69
SCHEMBL1178918 0.69
SCHEMBL27372176 0.68
Bromide SCHEMBL6375209 0.67 ALPL (0.41) ALPLPLAAALPGTSHRQPCT

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-105754227-A Carbon fiber composite for spraying manipulator and preparation method of carbon fiber composite 和县隆盛精密机械有限公司 2016-07-13 CN disclosed