SCHEMBL24655489

SCHEMBL24655489

N=C(/N=C(\N)c1cccc2oc3cc(-c4ccccc4)ccc3c12)c1ccc2ccccc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.36
PRSS1 P07477 4/20 0.36
PLG P00747 4/20 0.36
F2 P00734 4/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36
F12 P00748 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2B Q13224 2/20 0.34
HTR2B P41595 1/20 0.34
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
F10 P00742 3/20 0.33
PLAT P00750 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL23822492 0.96 PLAU (0.38) PLAUPRSS1PLGF2KLKB1
SCHEMBL27370746 0.92 F2 (0.35) PLAUPRSS1PLGF2KLKB1
SCHEMBL25506602 0.91 HTR2B (0.36) PLAUPRSS1PLGF2CYP1A2
SCHEMBL24657333 0.91 HTR2B (0.35) PLAUPRSS1PLGF2KLKB1
SCHEMBL24655499 0.89 PRSS1 (0.40) PLAUPRSS1PLGKLKB1HTR2B
SCHEMBL23822273 0.89 HTR2B (0.36) PLAUPRSS1PLGF2KLKB1
SCHEMBL23822457 0.88 HTR2B (0.36) PLAUPRSS1PLGF2KLKB1
SCHEMBL24658033 0.88 F2 (0.42) PLAUPRSS1PLGF2KLKB1
SCHEMBL23822246 0.88 F2 (0.38) PLAUPRSS1PLGF2KLKB1
SCHEMBL24656629 0.87 ERBB2 (0.35) PRSS1PLGF2CYP1A2HTR2B

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-2022177374-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2022-08-25 WO disclosed