SCHEMBL13480552

SCHEMBL13480552

CCNC(=O)Nc1cccc2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.77
KDM4E B2RXH2 9/20 0.69
GSK3B P49841 1/20 0.69
KMT2A Q03164 6/20 0.62
MEN1 O00255 5/20 0.62
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.61
HPGD P15428 1/20 0.60
NPC1 O15118 1/20 0.59
RAB9A P51151 3/20 0.59
GAA P10253 3/20 0.59
HSD17B10 Q99714 2/20 0.56
POLB P06746 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
NOX1 Q9Y5S8 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
SCHEMBL12196197 0.87 EPHX1 (1.00) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL10089308 0.84 EPHX1 (0.83) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL7742908 0.84 EPHX1 (0.68) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL30393282 0.84 KDM4E (0.82) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL1276481 0.84 KDM4E (0.82) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL14424459 0.83 EPHX1 (0.81) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL22168472 0.83 EPHX1 (0.67) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL13044587 0.82 EPHX1 (0.66) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL29971510 0.82 KDM4E (1.00) EPHX1KDM4EGSK3BKMT2AMEN1
SCHEMBL1395176 0.82 KDM4E (1.00) EPHX1KDM4EGSK3BKMT2AMEN1

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
WO-2017163808-A1 COMPOUND OR SALT THEREOF, NATURAL KILLER T CELL ACTIVATOR, AND PHARMACEUTICAL COMPOSITION 学校法人慶應義塾 2017-09-28 WO disclosed
US-7662910-B2 Inhibitors for the soluble epoxide hydrolase THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-02-16 US disclosed