SCHEMBL13333974

SCHEMBL13333974

Cc1cc(C)cc(-c2c3cc(N(c4ccccc4)c4ccccc4)ccc3c(-c3cccc4ccccc34)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc23)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.33
▸ DHFR P00374 1/20 0.32
▸ MCL1 Q07820 1/20 0.30
▸ ACMSD Q8TDX5 1/20 0.30
▸ CRHR1 P34998 1/20 0.30
▸ SOS1 Q07889 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
SCHEMBL14516023 0.93 SIGMAR1 (0.37) SIGMAR1DHFR
SCHEMBL13333977 0.92 ENPP1 (0.34) SIGMAR1DHFRMCL1CRHR1
SCHEMBL13333621 0.90 HTT (0.33) DHFRMCL1ACMSDSOS1
SCHEMBL13333914 0.90 SIGMAR1 (0.34) SIGMAR1MCL1ACMSDCRHR1SOS1
SCHEMBL13333650 0.89 SIGMAR1 (0.37) SIGMAR1DHFRMCL1ACMSDSOS1
SCHEMBL13333759 0.88 SIGMAR1 (0.35) SIGMAR1MCL1ACMSDCRHR1SOS1
SCHEMBL12014674 0.88 SIGMAR1 (0.38) SIGMAR1DHFRMCL1ACMSDSOS1
SCHEMBL13333589 0.88 SIGMAR1 (0.33) SIGMAR1DHFR
SCHEMBL13333976 0.87 SIGMAR1 (0.35) SIGMAR1DHFRMCL1SOS1
SCHEMBL15762769 0.87 DHFR (0.35) DHFRMCL1ACMSDCRHR1SOS1

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-2194110-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-06-09 — — EP disclosed
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