SCHEMBL29311183

SCHEMBL29311183

CC1(C)c2ccccc2-c2ccc(-c3ccc4ccccc4c3-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccccc5)c(-c5ccccc5)c4)n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
RXRA P19793 1/20 0.33
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL18386070 0.93 PDK2 (0.36) RARBRARGRXRAMAPTALDH1A1
SCHEMBL25679960 0.92 ENPP3 (0.33) RARBRARGRXRAMAPTALDH1A1
SCHEMBL25679969 0.92 PDK2 (0.34) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL17152003 0.92 RARB (0.34) RARBRARGRXRAMAPTALDH1A1
SCHEMBL18818818 0.92 PDK2 (0.38) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL18393184 0.91 PDK2 (0.34) RARBRARGMAPTALDH1A1HPGD
SCHEMBL17151844 0.90 PDK2 (0.36) RARBRARGMAPTALDH1A1HPGD
SCHEMBL17151837 0.90 MAPT (0.34) RARBRARGRXRAMAPTALDH1A1
SCHEMBL22414146 0.90 MAPT (0.35) RARBRARGRXRAMAPTALDH1A1
SCHEMBL17152102 0.89 RARB (0.34) RARBRARGRXRAMAPTALDH1A1

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-2024144220-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2024-07-04 WO disclosed