SCHEMBL13333977

SCHEMBL13333977

Cc1cccc(-c2c3cc(N(c4ccccc4)c4ccccc4)ccc3c(-c3cccc4ccccc34)c3cc(N(c4ccccc4)c4cccc5ccccc45)ccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 1/20 0.34
▸ SIGMAR1 Q99720 4/20 0.33
▸ CNR1 P21554 2/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ NR1I3 Q14994 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ DHFR P00374 2/20 0.31
▸ MCL1 Q07820 3/20 0.31
▸ BAD Q92934 2/20 0.31
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 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
SCHEMBL13333974 0.92 SIGMAR1 (0.33) SIGMAR1CRHR1DHFRMCL1
SCHEMBL13333914 0.91 SIGMAR1 (0.34) SIGMAR1CRHR1KMT2AMCL1ALDH1A1
SCHEMBL13333759 0.90 SIGMAR1 (0.35) SIGMAR1CRHR1KMT2AMCL1ALDH1A1
SCHEMBL13333650 0.89 SIGMAR1 (0.37) SIGMAR1KMT2ADHFRMCL1ALDH1A1
SCHEMBL13303907 0.88 SIGMAR1 (0.37) ENPP1SIGMAR1CRHR1DHFRMCL1
SCHEMBL13303900 0.87 SIGMAR1 (0.40) SIGMAR1KMT2ADHFRMCL1MAOA
SCHEMBL12014674 0.87 SIGMAR1 (0.38) SIGMAR1KMT2ADHFRMCL1
SCHEMBL13333976 0.86 SIGMAR1 (0.35) SIGMAR1DHFRMCL1ALDH1A1TSHR
SCHEMBL15762769 0.86 DHFR (0.35) ENPP1CRHR1DHFRMCL1MAOA
SCHEMBL14099725 0.85 DHFR (0.35) ENPP1CRHR1DHFRMCL1MAOA

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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