SCHEMBL25861813

SCHEMBL25861813

N=C(/C=C\C(=N)c1ccc(-c2cccc(-c3ccccc3)c2-c2ccc(C(=N)/C=C\C(=N)c3ccccc3)cc2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 1/20 0.40
▸ NQO2 P16083 3/20 0.38
▸ MMP9 P14780 1/20 0.37
▸ PRSS1 P07477 5/20 0.37
▸ PRSS2 P07478 2/20 0.37
▸ PRSS3 P35030 2/20 0.37
▸ PLAU P00749 5/20 0.36
▸ PLAT P00750 4/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ F2 P00734 4/20 0.35
▸ F10 P00742 4/20 0.35
▸ PLG P00747 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ KLKB1 P03952 1/20 0.35
▸ F7 P08709 1/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL25862046 0.98 MMP9 (0.38) WDR5NQO2MMP9PRSS1PRSS2
SCHEMBL25861808 0.91 WDR5 (0.41) WDR5NQO2MMP9PRSS1PRSS2
SCHEMBL25861653 0.91 ADORA3 (0.40) WDR5NQO2MMP9PRSS1PRSS2
SCHEMBL25862047 0.85 PRSS1 (0.43) PRSS1PRSS2PRSS3PLAUPLAT
SCHEMBL25861647 0.84 ADORA2A (0.39) WDR5NQO2PRSS1PLAUPLAT
SCHEMBL25861649 0.83 WDR5 (0.39) WDR5PRSS1PRSS2PRSS3PLAU
SCHEMBL25861903 0.81 PRSS1 (0.43) PRSS1PRSS2PRSS3PLAUPLAT
SCHEMBL20404952 0.79 TSHR (0.43) WDR5ALDH1A1HSD17B10HPGD
SCHEMBL24689800 0.77 PRSS1 (0.46) WDR5PRSS1PRSS2PRSS3F2
SCHEMBL18819551 0.75 MAPT (0.35) WDR5ALDH1A1HSD17B10HPGDHDAC8

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
Send feedback