SCHEMBL20124829

SCHEMBL20124829

NCc1ccccc1/C=C/c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 4/20 0.50
TRPA1 O75762 2/20 0.50
MAOB P27338 3/20 0.45
CYP19A1 P11511 2/20 0.45
MAOA P21397 2/20 0.45
PTGER4 P35408 1/20 0.45
PTGER3 P43115 1/20 0.45
PTGER2 P43116 1/20 0.45
CHAT P28329 1/20 0.45
DPP4 P27487 1/20 0.42
DHFR P00374 1/20 0.40
PNMT P11086 1/20 0.40
IDO1 P14902 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27969283 1.00 NFE2L2 (0.50) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL1248288 1.00 NFE2L2 (0.50) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27978369 0.86 LOXL2 (0.41) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL28130350 0.86 LOXL2 (0.41) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10765758 0.84 NFE2L2 (0.52) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10765753 0.84 NFE2L2 (0.52) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27978430 0.82 LOXL2 (0.42) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL27969100 0.82 LOXL2 (0.42) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10761271 0.81 NFE2L2 (0.48) NFE2L2TRPA1MAOBCYP19A1MAOA
SCHEMBL10761275 0.81 NFE2L2 (0.48) NFE2L2TRPA1MAOBCYP19A1MAOA

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
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 EP disclosed