SCHEMBL26050435

SCHEMBL26050435

C1=Cc2oc3cccc(-c4ccc5ccc(-c6nc(-c7ccc8ccccc8c7)nc(-c7ccc8oc9ccccc9c8c7)n6)cc5c4)c3c2CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.32
ALOX5 P09917 1/20 0.32
CHEK2 O96017 1/20 0.32
CASP3 P42574 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
GPR84 Q9NQS5 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL24655529 0.89 HCRTR1 (0.32) PRKDC
SCHEMBL26052121 0.85 ALDH1A1 (0.31) MAPT
SCHEMBL26080580 0.84 CHEK2 (0.32) CHEK2HSP90AA1HSP90AB1
SCHEMBL26332649 0.84 ALOX5 (0.34) PRKDCALOX5
SCHEMBL24971098 0.83 KDM4E (0.32)
SCHEMBL23821781 0.83 ALOX5 (0.39) PRKDCALOX5CHEK2CASP3SENP7
SCHEMBL25501605 0.83 PLA2G2A (0.30)
SCHEMBL27370006 0.82 BACE1 (0.32)
SCHEMBL23821785 0.82 ALOX5 (0.40) PRKDCALOX5CHEK2CASP3SENP7
SCHEMBL23822658 0.81 ALOX5 (0.39) PRKDCALOX5CHEK2CASP3SENP7

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-4235830-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-08-30 EP disclosed