SCHEMBL16232889

SCHEMBL16232889

c1ccc2c(c1)c1cccnc1n2-c1ccc2c(c1)sc1cc(-n3c4ccccc4c4cccnc43)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.39
▸ FEN1 P39748 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PDE4B Q07343 4/20 0.33
▸ PDE4D Q08499 4/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ LDHA P00338 1/20 0.33
▸ GPR3 P46089 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ HDAC3 O15379 1/20 0.31

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
SCHEMBL26082023 0.91 ACHE (0.34) ACHEFEN1KDM4EATML3MBTL1
SCHEMBL23626872 0.89 ACHE (0.33) ACHEFEN1ALDH1A1TSHRCYP2C19
SCHEMBL23626847 0.88 ALDH1A1 (0.36) ACHEFEN1KDM4EATML3MBTL1
SCHEMBL26082019 0.87 KDM4E (0.39) ACHEFEN1KDM4EATML3MBTL1
SCHEMBL16232891 0.85 ACHE (0.38) ACHEFEN1KDM4EATML3MBTL1
SCHEMBL23626848 0.85 ALDH1A1 (0.34) ACHEFEN1ALDH1A1TSHRCYP2C19
SCHEMBL23627128 0.85 ALDH1A1 (0.37) ACHEFEN1ALDH1A1TSHRCYP2C19
SCHEMBL26082031 0.85 RPA1 (0.36) ACHEALDH1A1TSHRCYP2C19
SCHEMBL23626935 0.84 ALDH1A1 (0.35) ACHEALDH1A1TSHRCYP2C19
SCHEMBL16232892 0.83 ACHE (0.37) ACHEFEN1KDM4EATML3MBTL1

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-20140332777-A1 PHOSPHORESCENT HOST MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2014-11-13 — — US disclosed
US-20140332777-A1 PHOSPHORESCENT HOST MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME ELECTRONICS AND TELECOMMUNICATIONS RESEARCH INSTITUTE (KR) 2014-11-13 — — US disclosed
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