SCHEMBL3673972

SCHEMBL3673972

CCNc1nc(Cl)nc(N(C)C(C)C#N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
GAA P10253 3/20 0.48
ALDH1A1 P00352 5/20 0.44
CREBBP Q92793 2/20 0.42
PDE4A P27815 2/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HTT P42858 3/20 0.40
NPSR1 Q6W5P4 3/20 0.38
TP53 P04637 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11348651 0.79 LMNA (0.56) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL7115688 0.78 GAA (0.52) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL4345481 0.73 LMNA (0.56) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL8883810 0.73 LMNA (0.61) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL10577183 0.72 ALDH1A1 (0.67) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL8537334 0.72 LMNA (0.64) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL65969 0.72 LMNA (0.64) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL29355285 0.72 LMNA (0.64) LMNAGAAALDH1A1CREBBPPDE4A
SCHEMBL11808524 0.71 LMNA (0.53) LMNAGAAALDH1A1CREBBPPDE4A
Simazine SCHEMBL8409822 0.70 LMNA (1.00) LMNAGAAPDE4AL3MBTL1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649276-A1 HERBICIDAL AGENTS BASED ON A HETEROCYCLIC ARYLOXYACETAMIDE BAYER AG (DE) 1995-04-26 EP claimed
EP-2213171-B1 Herbicidal agents based on heteroaryloxyacetamides BAYER CROPSCIENCE AG (DE) 2012-09-19 EP disclosed
EP-2213171-A2 Herbicidal agents based on heteroaryloxyacetamides Bayer CropScience AG (DE) 2010-08-04 EP disclosed
EP-0088049-A1 Herbicidal mixtures CIBA-GEIGY AG (CH) 1983-09-07 EP disclosed