SCHEMBL21131829

SCHEMBL21131829

N#Cc1ccc(-c2ccccc2-c2ccc(-c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 14/20 0.50
▸ ABCB1 P08183 6/20 0.48
▸ ABCC1 P33527 2/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ HCRTR1 O43613 1/20 0.40
▸ GBA1 P04062 1/20 0.40

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
SCHEMBL21131918 0.95 ABCG2 (0.49) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL19939317 0.94 ABCG2 (0.55) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL21131951 0.93 ABCG2 (0.49) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL21658278 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL19939372 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL22987019 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL19939318 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL22987018 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL21658384 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1
SCHEMBL19939311 0.92 ABCG2 (0.54) ABCG2ABCB1ABCC1KDM1AMEN1

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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