SCHEMBL21131500

SCHEMBL21131500

N#Cc1ccc(-c2cccc(-c3ccc4ccccc4c3-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 12/20 0.43
▸ ABCB1 P08183 6/20 0.43
▸ SLC22A12 Q96S37 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP1A2 P05177 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CLK4 Q9HAZ1 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ABCC1 P33527 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ GABRA1 P14867 1/20 0.39

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
SCHEMBL21131849 0.96 ABCG2 (0.44) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL21131894 0.95 ABCG2 (0.43) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL22114987 0.95 ABCG2 (0.43) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL22065152 0.94 ABCG2 (0.42) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL22986967 0.93 MEN1 (0.44) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL22908175 0.93 CYP1A2 (0.49) ABCG2MEN1ALDH1A1CYP1A2KMT2A
SCHEMBL21131945 0.93 ABCG2 (0.43) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL22064717 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL19942063 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12MEN1ALDH1A1
SCHEMBL19942058 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12MEN1ALDH1A1

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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