SCHEMBL11238700

SCHEMBL11238700

Cc1cc(C)nc(-c2cc(C(N)=O)c(=O)[nH]c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
LMNA P02545 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
TGFBR1 P36897 2/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
CDC7 O00311 1/20 0.34
DHODH Q02127 1/20 0.34
BRD4 O60885 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL11233196 0.87 KDM4E (0.51) POLBLMNAKDM4EGAAHPGD
SCHEMBL11235309 0.82 ALDH1A1 (0.58) POLBLMNAKMT2AKDM4EGAA
SCHEMBL11231843 0.80 PDE3B (0.51) LMNAMEN1KMT2AKDM4EGAA
SCHEMBL28942178 0.78 GAA (0.41) POLBLMNAKDM4EGAAHPGD
SCHEMBL10854301 0.77 KDM4E (0.59) POLBMEN1KMT2AKDM4EGAA
SCHEMBL10964419 0.77 KDM4E (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11236627 0.77 CCR1 (0.40) KDM4EGAAHPGDHSD17B10TGFBR1
SCHEMBL11243686 0.77 KDM4E (0.36) POLBLMNAMEN1KMT2AKDM4E
SCHEMBL11235898 0.76 KDM4E (0.35) POLBKDM4EGAACYP1A2DHODH
SCHEMBL11455731 0.75 CCNC (0.35) POLBLMNAMEN1KMT2AKDM4E

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-4365065-A 1-(Pyridinyl)-2-(dimethylamino)ethenyl lower-alkyl ketones STERLING DRUG INC. (US) 1982-12-21 US disclosed
US-4313951-A 3-Substituted-6-(lower-alkyl)-5-(pyridinyl)-2(1H)-pyridinones, their cardiotonic use and intermediates therefor STERLING DRUG INC. (US) 1982-02-02 US disclosed