SCHEMBL10968614

SCHEMBL10968614

Clc1ccc(COCc2ccc(Cl)cc2Cl)c(Cl)c1.OC(c1cccnc1)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.42
LMNA P02545 3/20 0.42
IDO1 P14902 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP19A1 P11511 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP17A1 P05093 2/20 0.42
SLC6A4 P31645 2/20 0.42
SLC6A3 Q01959 2/20 0.42
GRM6 O15303 1/20 0.42
NR1I2 O75469 1/20 0.42
EGFR P00533 1/20 0.42
NR3C1 P04150 1/20 0.42
ERBB2 P04626 1/20 0.42
FYN P06241 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 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
SCHEMBL10967991 0.87 SMN1; SMN2 (0.53) LMNAIDO1CYP19A1CYP3A4CYP17A1
SCHEMBL10969153 0.86 KCNA5 (0.43) CYP2C9CYP1A2CYP2D6CYP2C19CYP3A4
SCHEMBL10971823 0.84 CYP17A1 (0.53) CYP2C9LMNACYP1A2CYP2D6CYP2C19
SCHEMBL10968531 0.83 SMN1; SMN2 (0.46) CYP2C9LMNACYP1A2CYP2D6CYP2C19
SCHEMBL10970093 0.83 CYP17A1 (0.43) LMNACYP2D6CYP19A1CYP3A4CYP17A1
SCHEMBL10966366 0.83 CYP17A1 (0.43) CYP2C9LMNAIDO1CYP1A2CYP2D6
SCHEMBL10965806 0.82 GAA (0.41) LMNAIDO1CYP19A1CYP17A1SLC6A4
SCHEMBL10969606 0.82 LMNA (0.44) CYP2C9LMNAIDO1CYP1A2CYP2D6
SCHEMBL10965347 0.82 IDO1 (0.48) CYP2C9LMNAIDO1CYP1A2CYP2D6
SCHEMBL10972244 0.82 PDCD1 (0.42) IDO1CYP17A1TACR1GAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0148826-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH AND TECHNOLOGY COMPANY (US) 1985-07-24 EP disclosed
WO-1985000289-A1 FUNGICIDAL, HERBICIDAL AND PLANT GROWTH REGULATING PYRIDYL-CONTAINING ETHERS CHEVRON RESEARCH COMPANY (US) 1985-01-31 WO disclosed
US-4407806-A PRE- AND POSTEMERGENCE HERBICIDES CHEVRON RESEARCH COMPANY (US) 1983-10-04 US disclosed