SCHEMBL9819233

SCHEMBL9819233

CN(CCC#N)C(=O)Nc1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.50
MAPK14 Q16539 1/20 0.50
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 6/20 0.48
GAA P10253 3/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
NOX1 Q9Y5S8 1/20 0.46
EPHX1 P07099 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
NPC1 O15118 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
GSK3B P49841 1/20 0.44

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
SCHEMBL6019844 0.84 KDM4E (0.48) CDK8MAPK14KMT2AKDM4EGAA
SCHEMBL9819419 0.79 KMT2A (0.60) MAPK14KMT2AKDM4EALDH1A1HPGD
SCHEMBL11641269 0.77 KDM4E (0.62) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL11716685 0.75 SMN1; SMN2 (0.57) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL8340991 0.74 HDAC3 (0.48) KMT2AGAAALDH1A1HPGDMAPT
SCHEMBL13984133 0.73 EPHX1 (0.58) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL6321405 0.73 MAPT (0.62) KDM4EGAAALDH1A1HPGDMAPT
SCHEMBL15975493 0.71 EPHX1 (0.56) KMT2AKDM4EGAAALDH1A1HPGD
SCHEMBL6019838 0.71 KMT2A (0.58) KMT2AKDM4EGAAALDH1A1MAPT
SCHEMBL8338952 0.70 ALDH1A1 (0.46) KMT2AKDM4EGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0162669-B1 ANTICONVULSIVE COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-12-11 EP disclosed
US-4588729-A Treating convulsions with dihydrouracil derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-05-13 US disclosed
EP-0162669-A2 Anticonvulsive compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 1985-11-27 EP disclosed