SCHEMBL24029499

SCHEMBL24029499

CC1(C)c2ccccc2-c2cc(N(c3ccc(-c4ccccc4)cc3)c3ccc4c5c(cccc35)-c3ccccc3-4)ccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
PDK2 Q15119 4/20 0.33
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL21368468 0.94 CRHBP (0.34) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL23546655 0.94 CRHBP (0.34) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL21368066 0.94 CRHBP (0.34) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL21886350 0.93 MEN1 (0.36) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL21368473 0.92 PDK2 (0.34) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL15892402 0.91 PDK2 (0.34) PDK2
SCHEMBL14681482 0.90 PDK2 (0.35) PDK2
SCHEMBL25098399 0.89 RXRA (0.37) PDK2
SCHEMBL21368290 0.88 PDK2 (0.33) CRHBPCRHR2KEAP1NFE2L2MEN1
SCHEMBL23546668 0.87 CRHBP (0.33) CRHBPCRHR2KEAP1NFE2L2MEN1

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-2021230715-A1 ORGANIC LIGHT-EMITTING ELEMENT 주식회사 엘지화학 2021-11-18 WO disclosed