SCHEMBL9613154

SCHEMBL9613154

CCc1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc(-c5ccc6ccccc6c5)nc4)cc3)c3ccccc23)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35
CDC25C P30307 1/20 0.35
DUSP3 P51452 1/20 0.35
PDPK1 O15530 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SGK1 O00141 4/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
MAOB P27338 1/20 0.33
CYP1A2 P05177 2/20 0.33
CAMKK2 Q96RR4 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 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
SCHEMBL9612990 0.85 MAPKAPK2 (0.41) CDC25ACDC25BCDC25CDUSP3MEN1
SCHEMBL9612864 0.81 CTRC (0.40) CYP11B1CYP11B2SGK1MAOBCYP1A2
SCHEMBL19170433 0.80 CYP11B1 (0.42) CYP11B1CYP11B2CYP1A2SMN1; SMN2DHFR
SCHEMBL12436954 0.79 CYP1A1 (0.46) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL12436885 0.77 CYP1A1 (0.47) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL17680014 0.77 CYP11B1 (0.46) CYP11B1CYP11B2MEN1KMT2ACYP1A2
SCHEMBL10032235 0.76 MAPK9 (0.42) CYP11B1CYP11B2CYP17A1CYP19A1
SCHEMBL18272708 0.76 CYP11B1 (0.38) CYP11B1CYP11B2MEN1KMT2AMAOB
SCHEMBL9613158 0.76 FEN1 (0.35) CYP11B1CYP11B2ALOX5APFEN1SGK1
SCHEMBL21249207 0.76 CYP11B1 (0.45) CYP11B1CYP11B2MEN1KMT2ACYP1A2

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed