SCHEMBL15046397

SCHEMBL15046397

CC1(C)c2ccccc2N(c2ccccc2)c2ccc(/C=C/c3ccc4c(c3)C(C)(C)c3ccccc3N4c3ccc(-c4cccnc4)cc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.41
▸ APP P05067 1/20 0.36
▸ CHEK1 O14757 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ CYP11B1 P15538 5/20 0.35
▸ CYP17A1 P05093 4/20 0.35
▸ CYP21A2 P08686 2/20 0.35
▸ TNKS O95271 2/20 0.34
▸ TDP2 O95551 2/20 0.34
▸ P4HB P07237 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CYP11B2 P19099 3/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ KIF11 P52732 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 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
SCHEMBL15046396 0.90 PTPN1 (0.35) EGLN1APPLMNA
SCHEMBL18959489 0.86 EGLN1 (0.48) EGLN1APPLMNACYP11B1CYP17A1
SCHEMBL15046228 0.84 PGR (0.38) APPLMNACYP1A2CYP3A4
SCHEMBL15084750 0.84 PDK2 (0.40) EGLN1CYP11B1CYP17A1CYP11B2CYP19A1
SCHEMBL15046264 0.81 PGR (0.35) APPLMNACYP1A2CYP3A4
SCHEMBL15046400 0.81 PDK2 (0.34) APP
SCHEMBL19797392 0.81 EGLN1 (0.41) EGLN1APPCYP11B1CYP17A1TDP2
SCHEMBL15046405 0.80 PDK2 (0.38) APP
SCHEMBL22871815 0.80 CYP19A1 (0.49) EGLN1LMNACYP11B1CYP17A1CYP11B2
SCHEMBL20230684 0.80 CYP19A1 (0.40) EGLN1LMNATNKSCYP19A1CYP1A2

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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