SCHEMBL3567670

SCHEMBL3567670

CC(C)(C)c1ccc(CNC(=O)COc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.73
HPGD P15428 2/20 0.73
EPHX2 P34913 2/20 0.64
NR1H4 Q96RI1 2/20 0.64
MEN1 O00255 1/20 0.64
MAPK1 P28482 2/20 0.62
ERCC1 P07992 1/20 0.61
ERCC4 Q92889 1/20 0.61
CYP2C19 P33261 2/20 0.61
POLB P06746 2/20 0.61
GAA P10253 1/20 0.61
ALDH1A1 P00352 3/20 0.60
LMNA P02545 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 2/20 0.57
KDM4E B2RXH2 1/20 0.56
THRB P10828 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
HCAR2 Q8TDS4 1/20 0.56
CYP2C9 P11712 1/20 0.55

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
SCHEMBL14099146 0.86 EPHX2 (0.63) KMT2AHPGDEPHX2NR1H4MEN1
SCHEMBL5177709 0.86 GAA (0.74) KMT2AHPGDEPHX2NR1H4MEN1
SCHEMBL5272168 0.85 KMT2A (1.00) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL5178619 0.85 GAA (0.54) KMT2AHPGDEPHX2NR1H4MEN1
SCHEMBL17656854 0.84 KMT2A (0.79) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL5177358 0.84 KDM4E (0.60) KMT2AHPGDEPHX2NR1H4MAPK1
SCHEMBL5175853 0.82 RAB9A (0.74) KMT2AHPGDMEN1CYP2C19ALDH1A1
SCHEMBL1695641 0.82 KMT2A (0.66) KMT2AHPGDMEN1ERCC1ERCC4
SCHEMBL4641618 0.81 EPHX2 (0.67) EPHX2NR1H4
SCHEMBL29754911 0.81 KMT2A (0.53) KMT2AHPGDEPHX2NR1H4MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678818-B2 Anthranilamide and 2-amino-heteroarene-carboxamide compounds HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US claimed
EP-1984340-B1 ANTHRANILAMIDE/2-AMINO-HETEROARENE CARBOXAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-06-27 EP disclosed