SCHEMBL11245706

SCHEMBL11245706

OC(c1cccnc1)C(Cl)(Br)Br

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.58
GAA P10253 1/20 0.49
CYP17A1 P05093 1/20 0.49
TSHR P16473 1/20 0.49
CFTR P13569 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GOPC Q9HD26 1/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP19A1 P11511 1/20 0.46
FDPS P14324 1/20 0.40
KCNA5 P22460 1/20 0.40
CYP11B1 P15538 1/20 0.40

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
SCHEMBL11451365 0.89 SMN1; SMN2 (0.53) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL11228787 0.86 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL11237031 0.84 SMN1; SMN2 (0.57) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL10871434 0.80 SMN1; SMN2 (0.49) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL1242879 0.79 SMN1; SMN2 (0.87) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL2422770 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL31080721 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL29725500 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL2425719 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR
SCHEMBL2424565 0.78 SMN1; SMN2 (0.55) SMN1; SMN2GAACYP17A1TSHRCFTR

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