SCHEMBL21131861

SCHEMBL21131861

N#Cc1cccc(-c2ccc(-c3cccc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK4 Q9HAZ1 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ CYP1A2 P05177 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ ALDH1A3 P47895 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ GABRG2 P18507 2/20 0.43
▸ GABRB3 P28472 2/20 0.43
▸ GABRA5 P31644 2/20 0.43
▸ GABRA3 P34903 2/20 0.43
▸ GABRA1 P14867 1/20 0.43
▸ ABCG2 Q9UNQ0 2/20 0.43

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
SCHEMBL19939334 0.97 CLK4 (0.48) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL22986955 0.94 CYP1A2 (0.48) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL19939325 0.93 CYP1A2 (0.49) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL21131653 0.91 ABCG2 (0.46) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL19942096 0.91 MEN1 (0.43) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL19942098 0.89 MEN1 (0.44) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL20405351 0.89 CLK4 (0.50) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL25682759 0.89 ABCG2 (0.43) CLK4MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL19942328 0.88 ABCG2 (0.48) ALDH1A3GABRG2GABRB3GABRA5GABRA3
SCHEMBL26411896 0.87 MEN1 (0.42) CLK4MEN1ALDH1A1CYP1A2KMT2A

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
US-11211563-B2 Organic light emitting device LG CHEM, LTD. (KR) 2021-12-28 — — US disclosed
US-20190198766-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2019-06-27 — — US disclosed
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