SCHEMBL15046441

SCHEMBL15046441

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(/C=C/c3ccc4c(ccc5cc(Nc6ccc7ccccc7c6)ccc54)c3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RELA Q04206 1/20 0.36
▸ MAPT P10636 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ LMNA P02545 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ GNG2 P59768 1/20 0.33
▸ GNB1 P62873 1/20 0.33
▸ NQO2 P16083 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL15046332 0.95 PGR (0.41) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046300 0.93 ALDH1A1 (0.40) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046340 0.90 PGR (0.39) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046306 0.90 ALDH1A1 (0.39) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046278 0.89 PGR (0.39) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046262 0.86 PGR (0.38) PGRALDH1A1RELAMAPTMEN1
SCHEMBL15046351 0.85 CHEK1 (0.31) PGRRELA
SCHEMBL15046377 0.85 MEN1 (0.34) PGRALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL15046391 0.84 RELA (0.41) PGRALDH1A1HPGDRELAMAPT
SCHEMBL15046330 0.82 ALDH1A1 (0.34) PGRALDH1A1CYP3A4HPGDHSD17B10

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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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