SCHEMBL17014061

SCHEMBL17014061

c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc(-c5cnc6ccccc6c5)nc(-c5ccc(-c6cccnc6)cc5)n4)c3)c3ccccc23)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.57
▸ DHODH Q02127 1/20 0.47
▸ PDGFRB P09619 2/20 0.44
▸ PDGFRA P16234 2/20 0.44
▸ CYP2C9 P11712 5/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP3A4 P08684 3/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP19A1 P11511 2/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.42
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL17014096 0.97 CYP2A6 (0.56) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014016 0.97 CYP2A6 (0.56) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014062 0.96 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014012 0.96 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014094 0.94 CYP2A6 (0.59) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17369015 0.91 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014060 0.91 PDGFRB (0.56) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014059 0.89 CYP2A6 (0.52) CYP2A6DHODHPDGFRBPDGFRACYP2C9
SCHEMBL17014034 0.89 DHODH (0.52) CYP2A6DHODHCYP2C9CLK4CYP1A2
SCHEMBL17014063 0.89 DHODH (0.52) CYP2A6DHODHCYP2C9CLK4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10230051-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-12 — — US disclosed
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 — — US disclosed
US-20150236264-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-08-20 — — US disclosed
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