SCHEMBL8896877

SCHEMBL8896877

CC(NC(=O)C(C)(N)C(C)C)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAOB P27338 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH4 Q9H3N8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
GPR35 Q9HC97 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL8498815 0.78 ALOX5 (0.53) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL8896883 0.77 MEN1 (0.34) ALOX5MEN1KMT2ANPC1RAB9A
Hydrochloric Acid SCHEMBL8897585 0.77 ALOX5 (0.52) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL8498814 0.72 ALOX5 (0.56) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL8060783 0.71 ALOX5 (0.46) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL3110350 0.70 MEN1 (0.53) ALOX5MEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL8896870 0.70 ALOX5 (0.45) ALOX5MEN1KMT2ATAS1R3TAS1R1
SCHEMBL10459871 0.69 ALOX5 (0.57) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL20559684 0.69 ALOX5 (0.57) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL12248487 0.69 ALOX5 (0.56) ALOX5MEN1KMT2ANPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed
US-5348976-A Amide derivatives as fungicides safe for plants KUMAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-09-20 US disclosed
EP-0587110-A2 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-03-16 EP disclosed