SCHEMBL15030657

SCHEMBL15030657

Brc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Br)ccc1N2c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.41
PGR P06401 1/20 0.39
NPSR1 Q6W5P4 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
LMNA P02545 1/20 0.31
ALPL P05186 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALPI P09923 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALPG P10696 1/20 0.31
TLR9 Q9NR96 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PDK2 Q15119 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
SCHEMBL16186694 0.93 AHR (0.42) AHRPGRNPSR1GABRA1GABRB2
SCHEMBL30995915 0.92 AHR (0.42) AHRPGRNPSR1
SCHEMBL15030655 0.90 EGLN1 (0.38) AHRPGREGLN1
SCHEMBL16186695 0.89 PGR (0.35) AHRPGR
SCHEMBL15030710 0.89 AHR (0.41) AHRPGRNPSR1OPRM1OPRD1
SCHEMBL16186696 0.85 AHR (0.36) AHRPGRNPSR1EGLN1HSP90AA1
SCHEMBL15030787 0.85 PGR (0.33) PGR
SCHEMBL15030665 0.85 FAAH (0.34) AHRPGREGLN1HSP90AA1
SCHEMBL17470458 0.84 PDK2 (0.42) PGRNPSR1GABRA1GABRB2EGLN1
SCHEMBL15030643 0.83 ALDH1A1 (0.37) PGRNPSR1EGLN1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780325-B1 SPIRO-DIHYDROACRIDINE DERIVATIVES AND THEIR USE AS MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2016-02-03 EP disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
US-20140316134-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-10-23 US disclosed
WO-2013083216-A1 SPIRO DIHYDROACRIDINE DERIVATIVES AND THE USE THEREOF AS MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2013-06-13 WO disclosed