SCHEMBL5743957

SCHEMBL5743957

CO/C=C(/C(=O)OC)c1ccccc1COc1nc(-c2cccnc2)sc1C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NLRP1 Q9C000 1/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL5630208 0.92 KDM4E (0.47) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL5630199 0.92 KDM4E (0.47) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL5741743 0.90 MEN1 (0.47) ALDH1A1KDM4EMAPTHRH3MEN1
SCHEMBL5745896 0.85 HRH3 (0.46) MAPTHRH3MEN1KMT2A
SCHEMBL5742294 0.84 KMT2A (0.48) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL5629311 0.81 MEN1 (0.50) ALDH1A1KDM4EMAPTHRH3MEN1
SCHEMBL5629297 0.81 MEN1 (0.50) ALDH1A1KDM4EMAPTHRH3MEN1
SCHEMBL5743962 0.81 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL5629617 0.79 KDM4E (0.45) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL5629612 0.79 KDM4E (0.45) ALDH1A1KDM4EMAPTCYP1A2CYP3A4

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