SCHEMBL11242002

SCHEMBL11242002

CCN(CC)C(=O)OC(c1cccnc1)C(Cl)(Cl)Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KCNA5 P22460 5/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 3/20 0.40
PDE4D Q08499 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL11241260 0.83 LMNA (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1KCNA5
SCHEMBL11228700 0.81 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2L3MBTL1PDE4D
SCHEMBL11236544 0.78 KCNA5 (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1KCNA5
SCHEMBL11244521 0.77 POLB (0.39) ALDH1A1KCNA5KDM4EMEN1KMT2A
SCHEMBL11248372 0.75 PLOD2 (0.44) ALDH1A1LMNASMN1; SMN2MAPTCYP2C9
SCHEMBL11235465 0.73 GAA (0.47) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL11252785 0.72 SMN1; SMN2 (0.48) ALDH1A1LMNASMN1; SMN2MAPTHPGD
SCHEMBL11242443 0.72 RAB9A (0.48) SMN1; SMN2KDM4ECYP2C9CYP2C19MEN1
SCHEMBL11239307 0.72 KMT2A (0.49) ALDH1A1MAPTKDM4ECYP2C9CYP2C19
SCHEMBL11233129 0.71 TSHR (0.41) ALDH1A1SMN1; SMN2KDM4EMAPK1HPGD

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-4339455-A 1-(3-Pyridyl)-2,2,2-trihaloethyl compounds and fungicidal compositions containing the same CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1982-07-13 US disclosed
US-4189486-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1980-02-19 US disclosed