SCHEMBL8896883

SCHEMBL8896883

CC(NC(=O)C(C)(N)C(C)C)c1occ2cc(Cl)ccc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
HPGD P15428 2/20 0.32
MAPK1 P28482 2/20 0.32
PRCP P42785 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALOX5 P09917 1/20 0.32
GAA P10253 1/20 0.32
MME P08473 1/20 0.31
MAPT P10636 2/20 0.31
ALOX15 P16050 1/20 0.31
CNR1 P21554 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
PHGDH O43175 2/20 0.31
TP53 P04637 1/20 0.31

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
Hydrochloric Acid SCHEMBL8897593 0.79 PRCP (0.38) MEN1KMT2APRCPALOX5MME
SCHEMBL8896877 0.77 ALOX5 (0.51) MEN1KMT2AKDM4EALDH1A1NPC1
SCHEMBL7618939 0.72 LMNA (0.42) HTTALOX5TP53LMNA
SCHEMBL10962570 0.66 TAAR1 (0.33) MEN1KMT2AKDM4EHPGDMAPK1
SCHEMBL9202387 0.65 GABBR2 (0.51) MEN1KMT2AGAALMNA
SCHEMBL28657394 0.65 KMT2A (0.44) MEN1KMT2ANPC1RAB9AGAA
SCHEMBL11684469 0.63 MAOB (0.43) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6239414 0.63 KDM4E (0.46) MEN1KMT2AKDM4EALDH1A1GAA
SCHEMBL657859 0.63 HSD17B10 (0.39) MEN1KMT2AHTTHPGDMAPK1
SCHEMBL6608929 0.61 MCL1 (0.49) MEN1KMT2AKDM4EALDH1A1HPGD

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