SCHEMBL5741744

SCHEMBL5741744

COC(C)=C(C(=O)O)c1ccccc1COc1nc(-c2ccncc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
NLRP1 Q9C000 1/20 0.50
HRH3 Q9Y5N1 9/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.44
KLK7 P49862 1/20 0.41
RARB P10826 2/20 0.41
RARA P10276 1/20 0.41
RARG P13631 1/20 0.41
CDC7 O00311 3/20 0.41
DBF4 Q9UBU7 3/20 0.41
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
NOX1 Q9Y5S8 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
SCHEMBL5743962 0.90 ALDH1A1 (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5742298 0.86 KMT2A (0.51) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5629297 0.83 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5629311 0.83 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5741743 0.80 MEN1 (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630106 0.79 HRH3 (0.46) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630092 0.79 HRH3 (0.46) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL8546624 0.78 TDP1 (0.41) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL5688378 0.78 TDP1 (0.41) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL5628828 0.77 OPRL1 (0.35) MAPT

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-1453817-B1 THIAZOLE DERIVATIVES WITH FUNGICIDAL ACTIVITY ISAGRO RICERCA SRL (IT) 2006-04-26 EP claimed