SCHEMBL24606937

SCHEMBL24606937

c1ccc2c(C3=NC(c4ccc(-c5cccc6ccccc56)cc4)NC(c4ccc(-c5cccc6ccccc56)cc4)=N3)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.37
▸ ENPP1 P22413 1/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PPARG P37231 6/20 0.35
▸ PPARA Q07869 6/20 0.35
▸ NISCH Q9Y2I1 1/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ CYP3A5 P20815 1/20 0.33
▸ TNF P01375 1/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ PPARD Q03181 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ MCL1 Q07820 1/20 0.32

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
SCHEMBL25668553 0.92 MAPT (0.35) ENPP3ENPP1CA12CA1CA2
SCHEMBL24256932 0.91 CA12 (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL27381032 0.88 NOS2 (0.39) TNFNOS2CDK5
SCHEMBL27382192 0.84 PIM1 (0.37) CA12CA1CA2CA9PPARG
SCHEMBL25682924 0.84 TNF (0.37) ENPP3ENPP1CA12CA1CA2
SCHEMBL25973081 0.84 NOS2 (0.39) CA12CA1CA2CA9PPARG
SCHEMBL26154391 0.83 NOS2 (0.36) CA12CA1CA2CA9PPARG
SCHEMBL27380447 0.83 NOS2 (0.38) CA12CA1CA2CA9PPARG
SCHEMBL29316537 0.83 CA12 (0.36) ENPP3ENPP1CA12CA1CA2
SCHEMBL22547215 0.83 PDGFRB (0.38) CA12CA1CA2CA9NISCH

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
US-20220216432-A1 LIGHT-EMITTING DEVICE AND AN APPARATUS INCLUDING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-07-07 — — US disclosed
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