SCHEMBL22994277

SCHEMBL22994277

C1=Cc2c(n(-c3cc(-c4ccccc4)ccc3-c3ccc(N(c4ccccc4)c4ccc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)cc4)cc3)c3ccccc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 2/20 0.37
▸ PRKDC P78527 3/20 0.35
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ GGPS1 O95749 1/20 0.32
▸ PTGES2 Q9H7Z7 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
SCHEMBL22994056 0.94 ALOX5 (0.36) ALOX5PRKDCPRMT5WDR77GGPS1
SCHEMBL24595887 0.91 ALOX5 (0.36) ALOX5PRKDCPRMT5WDR77GGPS1
SCHEMBL22083727 0.89 ALOX5 (0.36) ALOX5PRKDCPRMT5WDR77GGPS1
SCHEMBL22994177 0.89 ALOX5 (0.32) ALOX5PRKDCPRMT5WDR77
SCHEMBL22994151 0.88 ALOX5 (0.31) ALOX5
SCHEMBL24999418 0.88 ALOX5 (0.34) ALOX5PRKDCPRMT5WDR77
SCHEMBL22994276 0.88 PRKDC (0.31) ALOX5PRKDC
SCHEMBL22994185 0.87 — —
SCHEMBL24725989 0.87 ALOX5 (0.33) ALOX5PRKDCPRMT5WDR77
SCHEMBL22994126 0.87 ALOX5 (0.32) ALOX5PRKDCPRMT5WDR77

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-3778596-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co.,Ltd. (JP) 2021-02-17 — — EP disclosed
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