SCHEMBL23655184

SCHEMBL23655184

N=C(/N=C(\N)c1cc2ccccc2cc1-c1ccc(-c2ccc3c4cccc5c6ccccc6n(c3c2)c54)cc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ PABPC1 P11940 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLG P00747 1/20 0.31

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
SCHEMBL23654695 0.85 F2 (0.33) PRSS1KDM4EMEN1NPC1KMT2A
SCHEMBL20405304 0.83 PRSS1 (0.35) PRSS1PRSS2PRSS3NPC1F2
SCHEMBL20407275 0.82 MCL1 (0.32) —
SCHEMBL18821314 0.82 CYP1A2 (0.32) PRSS1PRSS2PRSS3KDM4EMEN1
SCHEMBL20405359 0.79 F2 (0.36) PRSS1PRSS2PRSS3KDM4ENPC1
SCHEMBL23654799 0.78 KDM4E (0.32) KDM4EMEN1NPC1GAAMAPT
SCHEMBL20404889 0.77 PRSS1 (0.33) PRSS1PRSS2PRSS3
SCHEMBL20407233 0.76 MAPT (0.33) KDM4EMEN1NPC1MAPTKMT2A
SCHEMBL20407270 0.75 PDPK1 (0.36) PRSS1F2
SCHEMBL24914096 0.74 MAPT (0.35) KDM4EMEN1NPC1GAAMAPT

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
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 — — EP disclosed
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