SCHEMBL13333928

SCHEMBL13333928

Cc1ccc(N(c2ccc3c(-c4ccccc4)c4cc(N(c5ccc(C)cc5)c5cccc6ccccc56)ccc4c(-c4ccccc4)c3c2)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.35
▸ MAOA P21397 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ ESR1 P03372 3/20 0.33
▸ ESR2 Q92731 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ DHFR P00374 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CRHR1 P34998 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL15762775 0.97 SIGMAR1 (0.36) SIGMAR1MAOACYP1A2CYP2A6ACHE
SCHEMBL15762774 0.96 SIGMAR1 (0.37) SIGMAR1MAOACYP1A2CYP2A6ACHE
SCHEMBL15762763 0.93 L3MBTL1 (0.37) SIGMAR1MAOACYP1A2CYP2A6ACHE
SCHEMBL12014668 0.92 SIGMAR1 (0.38) SIGMAR1CYP1A2ESR1ESR2DHFR
SCHEMBL12928338 0.92 SIGMAR1 (0.38) SIGMAR1CYP1A2ESR1ESR2DHFR
SCHEMBL14516023 0.91 SIGMAR1 (0.37) SIGMAR1MAOACYP1A2CYP2A6DHFR
SCHEMBL13333656 0.91 SIGMAR1 (0.38) SIGMAR1CYP1A2ESR1ESR2KDM4E
SCHEMBL13333604 0.91 ESR1 (0.36) SIGMAR1CYP1A2ACHEESR1ESR2
SCHEMBL14489459 0.91 ESR1 (0.36) SIGMAR1CYP1A2ACHEESR1ESR2
SCHEMBL15762766 0.91 SIGMAR1 (0.34) SIGMAR1MAOACYP1A2CYP2A6ACHE

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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