SCHEMBL16068066

SCHEMBL16068066

c1ccc2c(-c3c4ccccc4c(-c4ccc5[nH]c6c7ccccc7c7ccccc7c6c5c4)c4ccccc34)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.42
▸ ALK Q9UM73 1/20 0.40
▸ CDK4 P11802 11/20 0.40
▸ CCND1 P24385 11/20 0.40
▸ GSK3B P49841 4/20 0.40
▸ GSK3A P49840 2/20 0.40
▸ CDK5 Q00535 2/20 0.40
▸ CDK5R1 Q15078 2/20 0.40
▸ CCNB2 O95067 2/20 0.39
▸ CCNE2 O96020 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCNE1 P24864 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ GABRP O00591 1/20 0.38
▸ GABRD O14764 1/20 0.38
▸ GABRA1 P14867 1/20 0.38
▸ GABRB1 P18505 1/20 0.38

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
SCHEMBL17122582 0.96 CDK4 (0.41) BCHEALKCDK4CCND1GSK3B
SCHEMBL16067880 0.94 ALK (0.44) BCHEALKCDK4CCND1GSK3B
SCHEMBL16067887 0.92 ALK (0.41) BCHEALKCDK4CCND1GSK3B
SCHEMBL16067782 0.91 ALK (0.42) BCHEALKCDK4CCND1GSK3B
SCHEMBL17122581 0.90 ALK (0.44) BCHEALKCDK4CCND1GSK3B
SCHEMBL16067740 0.90 BCHE (0.39) BCHECDK4CCND1GSK3BGSK3A
SCHEMBL16067867 0.89 CDK4 (0.40) BCHEALKCDK4CCND1GSK3B
SCHEMBL16068050 0.88 GSK3B (0.40) ALKCDK4CCND1GSK3BGSK3A
SCHEMBL16067724 0.88 GABRP (0.45) BCHECDK4CCND1GSK3BGSK3A
SCHEMBL16068048 0.88 KIF11 (0.45) CDK4CCND1GSK3BGSK3ACDK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2924029-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Idemitsu Kosan Co., Ltd (JP) 2015-09-30 — — EP disclosed
WO-2014141725-A1 ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME 出光興産株式会社 (JP) 2014-09-18 — — WO disclosed
Send feedback