SCHEMBL17468873

SCHEMBL17468873

CC/C(C)=C/C(=O)N(N)Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
LIN28A Q9H9Z2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
KCNA5 P22460 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
PTPRA P18433 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL19625142 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL18773876 0.74 TRPM8 (0.46) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL13470280 0.72 ALDH1A1 (0.59) SMN1; SMN2MAPTTDP1ALDH1A1RAB9A
SCHEMBL27549223 0.72 TRPM8 (0.44) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL12204158 0.70 TRPM8 (0.60) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL2187238 0.70 L3MBTL1 (0.55) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL7326927 0.69 CYP1A2 (0.45) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL9529185 0.69 PTPRA (0.50) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL12313339 0.69 NTRK1 (0.51) SMN1; SMN2MAPTLIN28ATDP1CYP1A2
SCHEMBL6170953 0.69 TRPM8 (0.59) SMN1; SMN2MAPTLIN28ATDP1CYP1A2

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-2016012362-A1 SUBSTITUTED CYANO CYCLOALKYL PENTA-2,4-DIENES, CYANO CYCLOALKYL PENT-2-EN-4-YNES, CYANO HETEROCYCLYL PENTA-2,4-DIENES AND CYANO HETEROCYCLYL PENT-2-EN-4-YNES AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed