SCHEMBL17449577

SCHEMBL17449577

N=C/C=C(\N)c1cccc(-c2cccc(-c3ccccc3S)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ KMO O15229 1/20 0.35
▸ DHODH Q02127 1/20 0.33
▸ ASH1L Q9NR48 6/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.31
▸ BAZ2A Q9UIF9 1/20 0.31
▸ ERN1 O75460 1/20 0.31
▸ SCN9A Q15858 1/20 0.30
▸ FYN P06241 1/20 0.30

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
SCHEMBL16615127 0.84 PRSS1 (0.58) PRSS1PRSS2PRSS3KMODHODH
SCHEMBL17449533 0.82 PRSS1 (0.59) PRSS1PRSS2PRSS3KMODHODH
SCHEMBL16615090 0.81 PRSS1 (0.58) PRSS1PRSS2PRSS3KMODHODH
SCHEMBL15506262 0.73 PDK2 (0.46) PRSS1PRSS2PRSS3PDK2
SCHEMBL28639034 0.71 MEN1 (0.45) PRSS1PRSS2PRSS3KMO
SCHEMBL4535484 0.69 F2 (0.48) PRSS1PRSS2PRSS3
SCHEMBL18088798 0.69 PARP1 (0.52) —
SCHEMBL26345894 0.67 PARP1 (0.53) —
SCHEMBL16173855 0.67 WDR5 (0.55) PRSS1PRSS2PRSS3DHODH
SCHEMBL22620838 0.65 ENPP2 (0.44) —

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-2016010380-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2016-01-21 — — WO disclosed
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