SCHEMBL23383777

SCHEMBL23383777

CC1(C)OB(c2cccc(-c3nc(-c4cccc(C#N)c4)nc(-c4ccc5ccccc5c4)n3)c2)OC1(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.53
▸ LIPG Q9Y5X9 2/20 0.53
▸ CYP1A2 P05177 6/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ CYP3A4 P08684 5/20 0.41
▸ CLK4 Q9HAZ1 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CYP2C19 P33261 4/20 0.41
▸ TSHR P16473 4/20 0.41
▸ HSD17B10 Q99714 4/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ LMNA P02545 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ PGR P06401 1/20 0.39
▸ CYP17A1 P05093 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ HRH4 Q9H3N8 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
SCHEMBL23384078 0.93 LIPG (0.60) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL23383915 0.93 LPL (0.53) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL23383917 0.91 LIPG (0.49) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL23383842 0.91 CYP1A2 (0.49) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL28579072 0.89 LIPG (0.65) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL24475168 0.87 LIPG (0.66) LPLLIPGCYP1A2ALDH1A1MEN1
SCHEMBL30125650 0.87 LIPG (0.62) LPLLIPGCYP1A2ALDH1A1MEN1
SCHEMBL23105636 0.87 LIPG (0.62) LPLLIPGCYP1A2ALDH1A1MEN1
SCHEMBL23383843 0.86 LIPG (0.55) LPLLIPGCYP1A2ALDH1A1CYP3A4
SCHEMBL30040595 0.86 LIPG (0.55) LPLLIPGCYP1A2ALDH1A1CYP3A4

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
US-20210151688-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-05-20 — — US disclosed
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