SCHEMBL20404889

SCHEMBL20404889

N=C(/N=C(\N)c1ccccc1)c1c(-c2ccc(-c3ccc4c5cccc6c7ccccc7n(c4c3)c65)cc2)c2ccccc2c2ccccc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 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
SCHEMBL23655240 0.85 — —
SCHEMBL20405157 0.85 PRSS1 (0.38) PRSS1PRSS2PRSS3
SCHEMBL18821314 0.84 CYP1A2 (0.32) PRSS1PRSS2PRSS3
SCHEMBL20404872 0.84 PRSS1 (0.34) PRSS1PRSS2PRSS3RXRARXRB
SCHEMBL23654799 0.81 KDM4E (0.32) —
SCHEMBL20407088 0.79 — —
SCHEMBL23655184 0.77 PRSS1 (0.32) PRSS1PRSS2PRSS3
SCHEMBL20404902 0.76 WDR5 (0.47) PRSS1PRSS2PRSS3
SCHEMBL20407275 0.75 MCL1 (0.32) —
SCHEMBL23654499 0.73 GRIN2B (0.58) RXRARXRB

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 3 patents. 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
EP-3351536-A1 ORGANIC LIGHT-EMITTING DEVICE LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
EP-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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