SCHEMBL5741743

SCHEMBL5741743

CO/C=C(/C(=O)OC)c1ccccc1COc1nc(-c2ccncc2)sc1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NLRP1 Q9C000 1/20 0.47
HRH3 Q9Y5N1 6/20 0.45
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
KLK7 P49862 1/20 0.41
CDC7 O00311 2/20 0.40
DBF4 Q9UBU7 2/20 0.40
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38

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
SCHEMBL5629297 0.91 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5629311 0.91 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5743957 0.90 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5745896 0.90 HRH3 (0.46) MEN1KMT2AHRH3MAPTPOLB
SCHEMBL5742294 0.87 KMT2A (0.48) KMT2AKDM4EALDH1A1MAPT
SCHEMBL5630199 0.81 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5630208 0.81 KDM4E (0.47) MEN1KMT2AKDM4EALDH1A1NLRP1
SCHEMBL5628088 0.81 HRH3 (0.47) MEN1KMT2AHRH3MAPTPOLB
SCHEMBL5628074 0.81 HRH3 (0.47) MEN1KMT2AHRH3MAPTPOLB
SCHEMBL5742217 0.81 HIF1A (0.36) KMT2A

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