SCHEMBL9081963

SCHEMBL9081963

Cn1nc(-c2ccc(Cl)cc2F)cc1S

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
HSD11B1 P28845 3/20 0.40
EGLN2 Q96KS0 1/20 0.37
GRM2 Q14416 7/20 0.35
CYP2C9 P11712 1/20 0.35
GRIN2B Q13224 1/20 0.35
BCHE P06276 1/20 0.34
PDE2A O00408 2/20 0.34
TRPM5 Q9NZQ8 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL7707702 0.84 KMO (0.42) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL6319050 0.81 KMO (0.43) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL7508249 0.79 KMO (0.39) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL6320670 0.76 KMO (0.36) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL7723045 0.75 MAPT (0.47)
SCHEMBL7475083 0.74 CA12 (0.48) KMOGRIN2B
SCHEMBL2344409 0.71 PDE7A (0.38) HSD11B1CYP2C9
SCHEMBL26096641 0.70 HSD11B1 (0.44) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL16202038 0.69 KMO (0.46) KMOHSD11B1EGLN2GRM2CYP2C9
SCHEMBL6311757 0.69 EGLN2 (0.43) KMOHSD11B1EGLN2GRM2BCHE

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-1996015115-A1 HERBICIDAL PYRAZOLE COMPOUNDS ZENECA LIMITED (GB) 1996-05-23 WO disclosed