SCHEMBL25862047

SCHEMBL25862047

N=C(/C=C\C(=N)c1cccc(-c2cccc(-c3cccc(C(=N)/C=C\C(=N)c4ccccc4)c3)c2-c2cccc(C(=N)/C=C\C(=N)c3ccccc3)c2)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ KMO O15229 1/20 0.37
▸ FOLH1 Q04609 2/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ FABP4 P15090 2/20 0.34
▸ GPR52 Q9Y2T5 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ FABP3 P05413 1/20 0.32
▸ FABP5 Q01469 1/20 0.32
▸ UCHL5 Q9Y5K5 1/20 0.32
▸ SERPINE1 P05121 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 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
SCHEMBL25861903 0.90 PRSS1 (0.43) PRSS1PRSS2PRSS3KMOCNR2
SCHEMBL24689800 0.90 PRSS1 (0.46) PRSS1PRSS2PRSS3KMOFOLH1
SCHEMBL25861813 0.85 WDR5 (0.40) PRSS1PRSS2PRSS3HDAC8F2
SCHEMBL25862046 0.83 MMP9 (0.38) PRSS1PRSS2PRSS3HDAC8F2
SCHEMBL25862198 0.80 GPR52 (0.39) PRSS1PRSS2PRSS3KMOFOLH1
SCHEMBL25861653 0.77 ADORA3 (0.40) PRSS1PRSS2PRSS3HDAC8F2
SCHEMBL27403657 0.76 HSD17B1 (0.46) PRSS1PRSS2PRSS3CNR2CNR1
SCHEMBL25861808 0.76 WDR5 (0.41) PRSS1PRSS2PRSS3HDAC8F2
SCHEMBL21868695 0.74 PDK2 (0.43) PRSS1PRSS2PRSS3KMO
SCHEMBL14654376 0.71 PRSS1 (0.58) PRSS1PRSS2PRSS3KMOHDAC8

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-2023136457-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 — — WO disclosed
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