SCHEMBL11248372

SCHEMBL11248372

O=C(OC(c1cccnc1)C(Cl)(Cl)Cl)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.44
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
APP P05067 1/20 0.42
GAA P10253 1/20 0.42
HCAR3 P49019 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
CFTR P13569 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
GOPC Q9HD26 1/20 0.42

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
SCHEMBL11246880 0.89 SMN1; SMN2 (0.46) PLOD2ALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL16908681 0.85 TSHR (0.52) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL11239307 0.85 KMT2A (0.49) ALDH1A1MAPTKMT2ACYP2C9CYP2C19
SCHEMBL11252785 0.83 SMN1; SMN2 (0.48) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL11233129 0.82 TSHR (0.41) ALDH1A1SMN1; SMN2HTTGAACFTR
SCHEMBL11235465 0.82 GAA (0.47) ALDH1A1MAPTSMN1; SMN2HTTKMT2A
SCHEMBL11228700 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HTTLMNACYP3A4
SCHEMBL11242443 0.80 RAB9A (0.48) SMN1; SMN2HTTKMT2ACYP2C9CYP2C19
SCHEMBL11238290 0.80 CYP3A4 (0.44) LMNACYP3A4GAACFTRSLC6A2
SCHEMBL11244188 0.78 RAB9A (0.52) ALDH1A1MAPTSMN1; SMN2HTTKMT2A

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