SCHEMBL24221817

SCHEMBL24221817

CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4cccc(-c5cc6ccccc6c6ccccc56)c4)cc3)c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.33
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
PDK2 Q15119 4/20 0.32
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
CASP1 P29466 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23448029 0.98 PDK2 (0.34) CYP11B1CA12CA1CA2CA9
SCHEMBL23448041 0.98 PDK2 (0.34) CYP11B1CA12CA1CA2CA9
SCHEMBL23239391 0.97 CA12 (0.37) CYP11B1CA12CA1CA2CA9
SCHEMBL22669961 0.94 PDK2 (0.33) CYP11B1CA12CA1CA2CA9
SCHEMBL25463820 0.94 PDK2 (0.33) CYP11B1CA12CA1CA2CA9
SCHEMBL10034349 0.94 PDK2 (0.37) CYP11B1PDK2ALDH1A1HPGDGPR84
SCHEMBL20102231 0.94 PDK2 (0.37) CYP11B1PDK2ALDH1A1HPGDMAPK1
SCHEMBL10034352 0.94 PDK2 (0.37) CYP11B1PDK2ALDH1A1HPGDGPR84
SCHEMBL23472053 0.94 CYP11B1 (0.34) CYP11B1PDK2ALDH1A1HPGDTSHR
SCHEMBL10034410 0.94 PDK2 (0.37) CYP11B1PDK2ALDH1A1HPGDMAPK1

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
US-20220029101-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2022-01-27 US disclosed