SCHEMBL15085096

SCHEMBL15085096

c1ccc(-c2cn(-c3ccccc3)c3c(-c4cccnc4)cccc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.51
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ DHPS P49366 1/20 0.43
▸ CYP11B1 P15538 2/20 0.43
▸ MAPT P10636 3/20 0.41
▸ TNF P01375 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CDC7 O00311 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 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
SCHEMBL15085102 0.87 DYRK1A (0.44) DYRK1ARAB9ANPC1KDM4EPOLB
SCHEMBL15085101 0.82 DYRK1A (0.45) DYRK1AGAAALDH1A1L3MBTL1DHPS
SCHEMBL15085085 0.78 DYRK1A (0.46) DYRK1AGAAALDH1A1L3MBTL1CYP11B1
SCHEMBL28917737 0.76 L3MBTL1 (0.47) GAAALDH1A1L3MBTL1DHPSCYP11B1
SCHEMBL6846191 0.73 DHPS (0.50) DYRK1AGAAALDH1A1L3MBTL1DHPS
SCHEMBL26259989 0.73 CYP2A6 (0.64) DYRK1AALDH1A1DHPSCYP11B1MAPT
SCHEMBL4621666 0.73 CYP2A6 (0.64) ALDH1A1CYP11B1MAPTTNFKCNH2
SCHEMBL31017586 0.73 CYP2A6 (0.64) ALDH1A1CYP11B1MAPTTNFKCNH2
SCHEMBL15085076 0.72 DYRK1A (0.40) DYRK1AGAAALDH1A1L3MBTL1DHPS
SCHEMBL12091868 0.72 KMO (0.56) DYRK1AGAAALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013100506-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2013-07-04 — — WO disclosed
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