SCHEMBL5745896

SCHEMBL5745896

CO/C=C(/C(=O)OC)c1ccccc1COc1nc(-c2ccc(Cl)cc2)sc1C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
RARB P10826 4/20 0.40
RARA P10276 2/20 0.40
RARG P13631 2/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5628074 0.92 HRH3 (0.47) HRH3KMT2AMEN1POLBMAPT
SCHEMBL5628088 0.92 HRH3 (0.47) HRH3KMT2AMEN1POLBMAPT
SCHEMBL5741743 0.90 MEN1 (0.47) HRH3KMT2AMEN1POLBMAPT
SCHEMBL5743957 0.85 ALDH1A1 (0.46) HRH3KMT2AMEN1MAPT
SCHEMBL5742294 0.84 KMT2A (0.48) KMT2AMAPT
SCHEMBL5629311 0.81 MEN1 (0.50) HRH3KMT2AMEN1POLBMAPT
SCHEMBL5629297 0.81 MEN1 (0.50) HRH3KMT2AMEN1POLBMAPT
SCHEMBL5742217 0.80 HIF1A (0.36) KMT2AHIF1A
SCHEMBL5744306 0.79 CNR1 (0.40) MAPTHIF1A
SCHEMBL5630208 0.77 KDM4E (0.47) HRH3KMT2AMEN1MAPTRARB

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