SCHEMBL9672155

SCHEMBL9672155

c1ccc(COn2cnc3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.53
CYP11B2 P19099 5/20 0.53
TNF P01375 1/20 0.53
HTT P42858 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
AGER Q15109 1/20 0.49
TDP1 Q9NUW8 1/20 0.46
LTA4H P09960 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ASAH1 Q13510 1/20 0.43
IKBKE Q14164 1/20 0.43
SMN1; SMN2 Q16637 4/20 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
SCHEMBL4953283 0.80 FGFR1 (0.51) CYP11B1CYP11B2TNFCYP1A2CYP3A4
SCHEMBL4953142 0.80 FGFR1 (0.37) CYP11B1CYP11B2TNFHTTCYP1A2
SCHEMBL28860663 0.79 TDP1 (0.48) CYP11B1CYP11B2TNFHTTTDP1
SCHEMBL9251888 0.77 LMNA (0.47) CYP11B1CYP11B2TNFHTTTDP1
SCHEMBL311098 0.75 PDE5A (0.40) CYP11B1CYP11B2TNFHTTCYP1A2
SCHEMBL4953943 0.75 FGFR1 (0.40) CYP11B1CYP11B2TNFCYP1A2CYP3A4
SCHEMBL4954023 0.75 FGFR1 (0.40) CYP11B1CYP11B2TNFCYP1A2CYP3A4
SCHEMBL1293053 0.75 TDP1 (0.52) CYP11B1CYP11B2TNFHTTTDP1
SCHEMBL17103057 0.75 SMN1; SMN2 (0.45) CYP11B1CYP11B2TNFHTTTDP1
SCHEMBL1623128 0.73 AGER (0.64) CYP11B1CYP11B2TNFHTTCYP1A2

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
EP-0509717-A2 New herbicidal compositions RHONE POULENC AGRICULTURE LTD. (GB) 1992-10-21 EP disclosed
EP-0508800-A1 New Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1992-10-14 EP disclosed