SCHEMBL22329995

SCHEMBL22329995

N#Cc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4sc4cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 15/20 0.42
▸ ABCB1 P08183 9/20 0.42
▸ ABCC1 P33527 4/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CLK4 Q9HAZ1 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ ALDH1A3 P47895 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL22329785 1.00 ABCG2 (0.42) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL22700737 0.99 ABCG2 (0.43) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL22700730 0.93 CYP1A2 (0.47) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL22329793 0.92 CYP1A2 (0.46) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL22329994 0.92 CYP1A2 (0.46) ABCG2MEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL22329579 0.90 LIMK1 (0.41) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL22329248 0.90 LIMK1 (0.41) MEN1ALDH1A1KMT2ALMNATSHR
SCHEMBL22330134 0.90 ABCG2 (0.35) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL2879715 0.87 LIMK1 (0.43) ABCG2MEN1ALDH1A1KMT2ALMNA
SCHEMBL22329281 0.87 ESR2 (0.40) MEN1ALDH1A1CYP1A2CYP3A4CYP2C19

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-11581494-B2 Organic light emitting device LG CHEM, LTD. (KR) 2023-02-14 — — US disclosed
US-20200259098-A1 ORGANIC LIGHT EMITTING DEVICE LG CHEM, LTD. (KR) 2020-08-13 — — US disclosed
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