SCHEMBL17454827

SCHEMBL17454827

C/N=N/c1cccc(-c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 2/20 0.42
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KMO O15229 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GSK3B P49841 1/20 0.35

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
SCHEMBL10813110 0.81 NOS1 (0.44) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL10813118 0.81 NOS1 (0.44) ALDH1A1CASP3SENP8SENP7SENP6
SCHEMBL17732365 0.78 MAOA (0.46) MGLLMAOAALDH1A1KMOHDAC4
SCHEMBL13754834 0.78 MAOA (0.41) MGLLMAOAALDH1A1KMOHDAC4
SCHEMBL54928 0.78 — —
SCHEMBL14948162 0.78 — —
SCHEMBL252196 0.78 — —
SCHEMBL3181549 0.77 MAOA (0.48) MGLLMAOAALDH1A1KMOHDAC4
SCHEMBL28786183 0.75 HNF4A (0.41) ALDH1A1MEN1POLBKMT2AL3MBTL1
SCHEMBL16247655 0.75 HDAC8 (0.43) MGLLALDH1A1KMOHDAC4HDAC2

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-2016010402-A1 ORGANIC ELECTROLUMINESCENT DEVICE ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-21 — — WO disclosed
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