SCHEMBL21131503

SCHEMBL21131503

N#Cc1ccc(-c2ccccc2-c2ccc3ccccc3c2-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 13/20 0.44
▸ SLC22A12 Q96S37 2/20 0.43
▸ ABCB1 P08183 5/20 0.42
▸ DNMT1 P26358 1/20 0.40
▸ KDM1A O60341 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ ABCC1 P33527 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CLK4 Q9HAZ1 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
SCHEMBL21131850 0.96 ABCG2 (0.45) ABCG2SLC22A12ABCB1DNMT1KDM1A
SCHEMBL22064790 0.95 ABCG2 (0.48) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL22064795 0.94 ABCG2 (0.43) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL21658277 0.94 ABCG2 (0.45) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL19942060 0.93 ABCG2 (0.47) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL21658388 0.93 ABCG2 (0.47) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL19942057 0.93 ABCG2 (0.47) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL22064784 0.92 ABCG2 (0.44) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL22064717 0.92 ABCG2 (0.46) ABCG2SLC22A12ABCB1KDM1ACA1
SCHEMBL19942063 0.92 ABCG2 (0.46) ABCG2SLC22A12ABCB1KDM1ACA1

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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