SCHEMBL9664904

SCHEMBL9664904

COc1ccc(CC(=O)NC(=O)/C=C/C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
MAPK8 P45983 1/20 0.50
LMNA P02545 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
EPHX2 P34913 1/20 0.49
KMT2A Q03164 2/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
RAB9A P51151 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KLK7 P49862 1/20 0.48
MEN1 O00255 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 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
SCHEMBL17993501 0.80 HTT (0.65) HTTSMN1; SMN2NPC1MAPK8LMNA
SCHEMBL4162497 0.80 HTT (0.65) HTTSMN1; SMN2NPC1MAPK8LMNA
SCHEMBL17866854 0.80 MEN1 (0.52) MAPK8LMNAEPHX2KMT2AALDH1A1
SCHEMBL9665038 0.80 MEN1 (0.52) MAPK8LMNAEPHX2KMT2AALDH1A1
SCHEMBL7905681 0.78 HTT (0.71) HTTSMN1; SMN2NPC1LMNATDP1
SCHEMBL4928502 0.76 HTT (0.73) HTTSMN1; SMN2NPC1MAPK8LMNA
SCHEMBL2494898 0.76 HTT (0.73) HTTSMN1; SMN2NPC1MAPK8LMNA
SCHEMBL9667193 0.75 KMT2A (0.51) HTTSMN1; SMN2MAPK8KMT2AALDH1A1
SCHEMBL14678385 0.75 DDAH1 (0.68) HTTSMN1; SMN2NPC1LMNAKMT2A
SCHEMBL3369060 0.74 HTT (0.76) HTTSMN1; SMN2NPC1LMNATDP1

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-0481289-A1 N-Fumaramide acid derivatives and fungicides containing them BASF Aktiengesellschaft (DE) 1992-04-22 EP disclosed