SCHEMBL22114987

SCHEMBL22114987

N#Cc1ccc(-c2ccc3cc(-c4ccc5ccccc5c4-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 11/20 0.43
▸ ABCB1 P08183 5/20 0.43
▸ SLC22A12 Q96S37 1/20 0.42
▸ CYP17A1 P05093 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ ABCC1 P33527 2/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 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
SCHEMBL22065152 0.96 ABCG2 (0.42) ABCG2ABCB1SLC22A12CYP17A1CYP11B1
SCHEMBL21131500 0.95 ABCG2 (0.43) ABCG2ABCB1SLC22A12ADORA2ACA1
SCHEMBL21658471 0.94 CYP11B1 (0.45) ABCG2ABCB1SLC22A12CYP17A1CYP11B1
SCHEMBL22064717 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12CYP11B2CA1
SCHEMBL19942063 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12CYP11B2CA1
SCHEMBL19942058 0.92 ABCG2 (0.46) ABCG2ABCB1SLC22A12CYP11B2CA1
SCHEMBL21131849 0.91 ABCG2 (0.44) ABCG2ABCB1SLC22A12ADORA2ACA1
SCHEMBL21658388 0.91 ABCG2 (0.47) ABCG2ABCB1SLC22A12CYP11B2CA1
SCHEMBL19942057 0.91 ABCG2 (0.47) ABCG2ABCB1SLC22A12CA1CA2
SCHEMBL19942060 0.91 ABCG2 (0.47) ABCG2ABCB1SLC22A12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210210694-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2021-07-08 — — US disclosed
US-10950801-B2 Organic light-emitting device LG CHEM, LTD. (KR) 2021-03-16 — — US disclosed
EP-3754734-A1 ORGANIC LIGHT EMITTING DIODE LG CHEM, LTD. (KR) 2020-12-23 — — EP disclosed
US-20200287142-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM LTD. (KR) 2020-09-10 — — US disclosed
EP-3667749-A1 ORGANIC LIGHT-EMITTING DEVICE LG CHEM, LTD. (KR) 2020-06-17 — — EP disclosed
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