SCHEMBL15046400

SCHEMBL15046400

CC1(C)c2cc(/C=C/c3ccc4c(c3)C(C)(C)c3cc5c(cc3-4)C(C)(C)c3ccccc3N5c3ccc(-c4ccccc4)cc3)ccc2-c2cc3c(cc21)N(c1ccccc1)c1ccccc1C3(C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.34
▸ PGR P06401 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ APP P05067 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NR1H3 Q13133 3/20 0.31
▸ PDE6D O43924 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
SCHEMBL15046263 0.94 PDK2 (0.36) PDK2PGRAPPMAPTNR1H3
SCHEMBL15046319 0.94 PDK2 (0.35) PDK2PGRNR1H3
SCHEMBL15046357 0.94 PDK2 (0.36) PDK2PGR
SCHEMBL15046396 0.90 PTPN1 (0.35) PDK2PGRPTPN1APPMAPT
SCHEMBL15046257 0.89 PDK2 (0.32) PDK2PGR
SCHEMBL15046265 0.89 RELA (0.34) PDK2MAPT
SCHEMBL15046256 0.89 RELA (0.34) PDK2MAPT
SCHEMBL15046239 0.89 NR1H2 (0.39) PDK2NR1H3
SCHEMBL15046250 0.89 NR1H2 (0.39) PDK2NR1H3
SCHEMBL15046405 0.89 PDK2 (0.38) PDK2PGRPTPN1APPMAPT

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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