SCHEMBL18967449

SCHEMBL18967449

N=C(/N=C(\N)c1ccccc1)c1cccc(-c2ccc3ccccc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.49
▸ PRSS2 P07478 1/20 0.49
▸ PRSS3 P35030 1/20 0.49
▸ HSD17B1 P14061 1/20 0.45
▸ HSD17B2 P37059 1/20 0.45
▸ F2 P00734 1/20 0.42
▸ PLG P00747 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ SIRT2 Q8IXJ6 11/20 0.42
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38

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
SCHEMBL22061206 0.90 PLAU (0.47) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL24030873 0.90 PLAU (0.49) PRSS1PRSS2PRSS3F2PLG
SCHEMBL24031192 0.90 PLAU (0.47) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL25654291 0.89 PLAU (0.50) PRSS1PRSS2PRSS3HSD17B1HSD17B2
SCHEMBL23946738 0.88 PLAU (0.53) PRSS1HSD17B1HSD17B2F2PLG
SCHEMBL21707251 0.88 PLAU (0.53) PRSS1PRSS2PRSS3F2PLG
SCHEMBL21707252 0.88 PRSS1 (0.59) PRSS1PRSS2PRSS3F2PLG
SCHEMBL15004143 0.88 PRSS1 (0.62) PRSS1PRSS2PRSS3F2PLG
SCHEMBL25008241 0.87 ESR1 (0.46) PRSS1PRSS2PRSS3F2PLG
SCHEMBL23654435 0.86 PLAU (0.58) PRSS1F2PLGPLAUKLKB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386987-B1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2020-04-15 — — EP disclosed
WO-2017099360-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-15 — — WO disclosed
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