SCHEMBL23944663

SCHEMBL23944663

Clc1cc2oc3cc4ccccc4cc3c2c(Br)n1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 5/20 0.35
▸ PRKDC P78527 4/20 0.33
▸ MAPT P10636 1/20 0.32
▸ XRCC6 P12956 1/20 0.31
▸ XRCC5 P13010 1/20 0.31
▸ ELANE P08246 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
SCHEMBL23947505 0.84 AHR (0.43) AHRMAPT
SCHEMBL23944664 0.83 AHR (0.36) AHRPRKDCMAPTXRCC6XRCC5
SCHEMBL23285576 0.78 AHR (0.44) AHRPRKDCMAPTXRCC6XRCC5
SCHEMBL23944281 0.77 PRKDC (0.35) AHRPRKDCMAPTXRCC6XRCC5
SCHEMBL29383600 0.76 AHR (0.46) AHRPRKDCXRCC6XRCC5
SCHEMBL23597817 0.76 AHR (0.46) AHRPRKDCXRCC6XRCC5
SCHEMBL24047502 0.74 AHR (0.40) AHRPRKDCMAPTXRCC6XRCC5
SCHEMBL23285619 0.74 AHR (0.40) AHRPRKDCXRCC6XRCC5
SCHEMBL18271494 0.73 ALDH1A1 (0.38) AHRPRKDCMAPTXRCC6XRCC5
SCHEMBL24911605 0.72 AHR (0.41) AHRPRKDCMAPTXRCC6XRCC5

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-2021210910-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-10-21 — — WO disclosed
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