SCHEMBL21446170

SCHEMBL21446170

C=NC(=C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMO O15229 1/20 0.52
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.47
▸ ERCC5 P28715 1/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ MGLL Q99685 2/20 0.40
▸ KAT6A Q92794 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ GRIK2 Q13002 2/20 0.39
▸ MAOA P21397 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
SCHEMBL23138592 0.80 CES1 (0.39) MAOA
SCHEMBL19147026 0.79 KMO (0.59) KMO
SCHEMBL13442275 0.79 KMO (0.59) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL2135450 0.75 KMO (0.55) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL20243662 0.75 PRSS1 (0.64) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL14471520 0.73 KMO (0.64) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL2845394 0.73 KMO (0.64) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL24285452 0.72 KMO (0.40) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL4804883 0.72 KMO (0.62) KMOPRSS1PRSS2PRSS3HDAC8
SCHEMBL16795802 0.72 KMO (0.52) KMOPRSS1PRSS2PRSS3HDAC8

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-2019192954-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-10-10 — — WO disclosed
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