SCHEMBL9364773

SCHEMBL9364773

Clc1ccc(C2OC2(Cn2cncn2)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP19A1 P11511 3/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 5/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 1/20 0.40
CYP2C9 P11712 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
HSP90AA1 P07900 2/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL395411 0.95 CYP19A1 (0.43) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL10418776 0.95 CYP19A1 (0.43) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL10418775 0.95 CYP19A1 (0.43) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL9724894 0.84 KMT2A (0.40) CYP19A1HTTKDM4EPOLBCYP3A4
SCHEMBL9724888 0.84 KMT2A (0.40) CYP19A1HTTKDM4EPOLBCYP3A4
SCHEMBL9724899 0.84 KMT2A (0.40) CYP19A1HTTKDM4EPOLBCYP3A4
SCHEMBL9668373 0.84 GAA (0.44) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL9724994 0.82 GAA (0.44) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL9724997 0.82 GAA (0.44) GAAHSD17B10CYP19A1HTTKDM4E
SCHEMBL9724999 0.82 GAA (0.44) GAAHSD17B10CYP19A1HTTKDM4E

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-0352673-B1 1-chloro-1-azolyl-methyloxiranes and fungicides containing them BASF AG (DE) 1994-03-09 EP disclosed
US-5017594-A 1-halo-1-azolylpropenes and -methyloxiranes and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-05-21 US disclosed
EP-0352673-A2 1-chloro-1-azolyl-methyloxiranes and fungicides containing them BASF Aktiengesellschaft (DE) 1990-01-31 EP disclosed