SCHEMBL15046064

SCHEMBL15046064

CC1(C)c2ccccc2N(c2ccc3ccccc3c2)c2ccc(C=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ LMNA P02545 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ ALDH1A3 P47895 2/20 0.33
▸ HTR3A P46098 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ THRB P10828 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
SCHEMBL15046290 0.91 ALDH1A1 (0.34) HSP90AA1ALDH1A1KMT2AHTTMEN1
SCHEMBL15046280 0.90 ALDH1A1 (0.35) HSP90AA1ALDH1A1KMT2AHTTMEN1
SCHEMBL15046394 0.90 RELA (0.41) HSP90AA1ALDH1A1KMT2AHTTMEN1
SCHEMBL15119779 0.87 HSP90AA1 (0.35) HSP90AA1ALDH1A1KMT2APOLBEGLN1
SCHEMBL15046391 0.86 RELA (0.41) HSP90AA1ALDH1A1KMT2AHTTMEN1
SCHEMBL15119778 0.86 HSP90AA1 (0.36) HSP90AA1ALDH1A1KMT2AMEN1MAPT
SCHEMBL15046224 0.85 LMNA (0.39) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL15046368 0.85 HSP90AA1 (0.47) HSP90AA1ALDH1A1KMT2AHTTMEN1
SCHEMBL15046222 0.84 IP6K1 (0.38) ALDH1A1KMT2AHTTMEN1MAPT
SCHEMBL13557589 0.83 HSP90AA1 (0.41) HSP90AA1ALDH1A1KMT2AHTTMEN1

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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