SCHEMBL9710690

SCHEMBL9710690

Cn1c(C#N)c(C#N)n(-c2ccc(C#N)cc2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.41
POLB P06746 1/20 0.41
CYP11B2 P19099 4/20 0.38
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP2 O95551 1/20 0.36
CYP2A6 P11509 1/20 0.36
PKM P14618 1/20 0.36
MAOB P27338 1/20 0.36
PGR P06401 1/20 0.35
TP53 P04637 1/20 0.35
CASP3 P42574 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34

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
SCHEMBL9710622 0.86 GSK3A (0.49) ELANEPOLBALDH1A1KDM4EMAPT
SCHEMBL9710822 0.85 GSK3A (0.50) ELANEPOLBALDH1A1KDM4EMAPT
SCHEMBL9710841 0.84 GSK3B (0.50) ALDH1A1KDM4EMAPK1SMN1; SMN2PGR
SCHEMBL9710614 0.78 MAPT (0.42) ALDH1A1MAPTTP53RXFP1
SCHEMBL9710787 0.73 GSK3A (0.49) ELANEPOLBALDH1A1KDM4EMAPT
SCHEMBL9710738 0.72 GSK3A (0.44) POLBALDH1A1KDM4ESMN1; SMN2TP53
SCHEMBL9710970 0.72 GSK3A (0.45) ELANEPOLBALDH1A1KDM4EMAPT
SCHEMBL16604399 0.71 ALDH1A1 (0.53) ELANEPOLBALDH1A1KDM4EMAPT
SCHEMBL11768443 0.71 MAOA (0.42) ELANEPOLBCYP11B2ALDH1A1KDM4E
SCHEMBL9710800 0.71 GSK3A (0.50) POLBALDH1A1KDM4EMAPTSMN1; SMN2

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-1992021662-A1 POSSIBLY CONDENSED PHENYLIMIDAZOLONES AND PYRIMIDINONES AS HERBICIDES; INTERMEDIATES DOWELANCO (US) 1992-12-10 WO disclosed
US-5153316-A Post and preemergence herbicides DOWELANCO 1992-10-06 US disclosed