SCHEMBL15046048

SCHEMBL15046048

CC1(C)c2ccccc2N(c2ccc3ccccc3c2)c2ccc(CO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ NOTUM Q6P988 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDK2 Q15119 1/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CBX7 O95931 1/20 0.33
▸ CDYL2 Q8N8U2 1/20 0.33
▸ CDYL Q9Y232 1/20 0.33
▸ CDY1; CDY1B Q9Y6F8 1/20 0.33
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 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
SCHEMBL15046329 0.91 PDK2 (0.38) KMT2APOLBEGLN1HSP90AA1NOTUM
SCHEMBL15020018 0.85 ITGB2 (0.38) KMT2AEGLN1ALDH1A1PDK2CYP1A2
SCHEMBL15046368 0.85 HSP90AA1 (0.47) KMT2APOLBEGLN1HSP90AA1ALDH1A1
SCHEMBL15046219 0.84 CDC25A (0.36) KMT2AEGLN1ALDH1A1HTTPDK2
SCHEMBL15019986 0.83 CYP1A2 (0.42) KMT2APOLBEGLN1HSP90AA1ALDH1A1
SCHEMBL13557589 0.83 HSP90AA1 (0.41) KMT2APOLBEGLN1HSP90AA1ALDH1A1
SCHEMBL13231588 0.82 HSP90AA1 (0.42) KMT2APOLBEGLN1HSP90AA1ALDH1A1
SCHEMBL15046220 0.82 EGLN1 (0.34) KMT2APOLBEGLN1HSP90AA1ALDH1A1
SCHEMBL15046310 0.81 PDK2 (0.36) KMT2APOLBMAPTPDK2CYP1A2
SCHEMBL15046044 0.81 CYP2A6 (0.42) KMT2APOLBEGLN1HSP90AA1ALDH1A1

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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