SCHEMBL15046310

SCHEMBL15046310

CC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3cc(CO)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ IKBKB O14920 1/20 0.34
▸ FSHR P23945 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CNR2 P34972 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ P2RY1 P47900 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ NR1I2 O75469 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NR1H2 P55055 1/20 0.31

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
SCHEMBL15046385 0.90 PDK2 (0.39) PDK2IKBKBCNR1CNR2
SCHEMBL15020018 0.87 ITGB2 (0.38) PDK2NPSR1ITGB2ICAM1ITGAL
SCHEMBL15118492 0.86 ITGB2 (0.36) P2RY1NPSR1ITGB2ICAM1ITGAL
SCHEMBL15046219 0.85 CDC25A (0.36) PDK2FSHRITGB2ICAM1ITGAL
SCHEMBL15046109 0.84 P2RY1 (0.38) P2RY1NPSR1CYP1A2CYP2D6KMT2A
SCHEMBL15020337 0.84 LMNA (0.39) PDK2P2RY1NPSR1KMT2ANR1I2
SCHEMBL15046288 0.82 FSHR (0.35) FSHREPHX2P2RY1CYP1A2KMT2A
SCHEMBL24176385 0.82 P2RY1 (0.35) P2RY1NPSR1ITGB2ICAM1ITGAL
SCHEMBL15046048 0.81 KMT2A (0.39) PDK2ITGB2ICAM1ITGALCYP1A2
SCHEMBL15046217 0.81 PGR (0.35) PDK2P2RY1NPSR1CYP1A2CYP2D6

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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