SCHEMBL19369885

SCHEMBL19369885

c1ccc(-c2cc(-c3cccc4ccccc34)nc(-c3cccc(-c4ccc(-c5nc6ccccc6cc5-c5ccccc5)cc4)c3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.45
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PSMB5 P28074 1/20 0.41
▸ NTSR1 P30989 1/20 0.40
▸ ACACA Q13085 2/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 4/20 0.38
▸ HPGD P15428 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ DHODH Q02127 1/20 0.38
▸ FLT3 P36888 1/20 0.36
▸ BMX P51813 1/20 0.36
▸ ENPP3 O14638 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
SCHEMBL19369884 0.92 AKT1 (0.51) AKT1MEN1KMT2APSMB5NTSR1
SCHEMBL18134319 0.85 MEN1 (0.50) MEN1KMT2ANTSR1CA12CA1
SCHEMBL18134351 0.84 CA12 (0.51) MEN1KMT2ANTSR1ACACACA12
SCHEMBL17915065 0.82 MEN1 (0.42) MEN1KMT2AACACAPDE10ACA12
SCHEMBL17721024 0.82 ALDH1A1 (0.51) MEN1KMT2ANTSR1ACACACA12
SCHEMBL18200832 0.81 MEN1 (0.41) MEN1KMT2ACA12CA1CA2
SCHEMBL22308657 0.81 MEN1 (0.50) MEN1KMT2ANTSR1ACACACA12
SCHEMBL22309616 0.81 MEN1 (0.50) MEN1KMT2ANTSR1ACACACA12
SCHEMBL23921114 0.81 MEN1 (0.51) MEN1KMT2ANTSR1ACACACA12
SCHEMBL22057414 0.81 MEN1 (0.49) MEN1KMT2ANTSR1CA12CA1

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-2017156698-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE THEREOF DOW GLOBAL TECHNOLOGIES LLC (US) 2017-09-21 — — WO disclosed
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