SCHEMBL17014096

SCHEMBL17014096

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 1/20 0.56
▸ DHODH Q02127 1/20 0.49
▸ PDGFRB P09619 2/20 0.43
▸ PDGFRA P16234 2/20 0.43
▸ CLK4 Q9HAZ1 4/20 0.42
▸ CYP2C9 P11712 4/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ GLA P06280 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ABCG2 Q9UNQ0 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ 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
SCHEMBL17014061 0.97 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014016 0.96 CYP2A6 (0.56) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014094 0.96 CYP2A6 (0.59) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17369015 0.93 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014012 0.93 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014062 0.93 CYP2A6 (0.57) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014097 0.91 PDGFRB (0.54) CYP2A6DHODHPDGFRBPDGFRACLK4
SCHEMBL17014063 0.90 DHODH (0.52) CYP2A6DHODHCLK4CYP2C9CYP1A2
SCHEMBL17014034 0.90 DHODH (0.52) CYP2A6DHODHCLK4CYP2C9CYP1A2
SCHEMBL17014093 0.88 PDGFRB (0.56) CYP2A6DHODHPDGFRBPDGFRACLK4

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
Send feedback