SCHEMBL15570276

SCHEMBL15570276

CCCc1c(C)c(C(=O)OCC)nn(C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
CYP1A2 P05177 1/20 0.37
F2 P00734 1/20 0.36
PLAU P00749 1/20 0.36
ELANE P08246 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL15570041 0.87 ALDH1A1 (0.39) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15569660 0.87 KDM5B (0.42) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15569737 0.83 POLB (0.34) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15568782 0.80 KDM4E (0.43) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15569312 0.78 KDM4E (0.41) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL387677 0.77 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL15569366 0.77 MAPT (0.31) SMN1; SMN2LMNAMEN1KMT2AMAPT
SCHEMBL4700865 0.76 ADORA3 (0.47) KDM4ESMN1; SMN2LMNAMEN1KMT2A
SCHEMBL22900489 0.76 KMT2A (0.46) KDM4ESMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL391742 0.76 KDM5B (0.45) KDM4ESMN1; SMN2LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014031971-A1 HERBICIDAL PYRIDAZINONES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2014-02-27 WO disclosed