SCHEMBL6882644

SCHEMBL6882644

CCOC(=O)C(CN1C(=O)c2ccccc2C1=O)(C(=O)OCC)c1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 2/20 0.43
HPGD P15428 1/20 0.43
GAA P10253 4/20 0.42
ATM Q13315 1/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.41
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL6605779 0.86 HPGD (0.46) MEN1KMT2AALDH1A1RECQLSMN1; SMN2
SCHEMBL28704182 0.78 ALDH1A1 (0.54) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL3783043 0.78 HPGD (0.45) MEN1KMT2AALDH1A1RECQLSMN1; SMN2
SCHEMBL14932582 0.76 L3MBTL1 (0.57) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL4410032 0.74 L3MBTL1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL28534429 0.74 NPSR1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1RECQL
SCHEMBL783445 0.71 GLA (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HPGD
SCHEMBL16711995 0.71 HPGD (0.45) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL16711996 0.71 HPGD (0.45) MEN1KMT2AALDH1A1POLBHPGD
SCHEMBL28534428 0.70 NPSR1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1RECQL

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
US-6821992-B1 ESPECIALLY AGAINST FUNGAL DISEASES OF PLANTS, E.G. MILDEWS AND PARTICULARLY CEREAL POWDERY MILDEW (ERYSIPHE GRAMINIS) AND VINE DOWNY MILDEW (PLASMOPARA VITICOLA), RICE BLAST (PYRICULARIA ORYZAE), ETC. AVENTIS CROPSCIENCE S.A. (FR) 2004-11-23 US disclosed