SCHEMBL14516023

SCHEMBL14516023

Cc1cc(C)cc(-c2c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc3c(-c3cc(C)cc(C)c3)c3ccc(N(c4ccccc4)c4cccc5ccccc45)cc23)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 8/20 0.37
▸ DHFR P00374 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CYP2A6 P11509 3/20 0.31
▸ CYP1A2 P05177 3/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 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 0.93 SIGMAR1 (0.33) SIGMAR1DHFR
SCHEMBL15762774 0.92 SIGMAR1 (0.37) SIGMAR1DHFRMAOAL3MBTL1CYP2A6
SCHEMBL13333589 0.92 SIGMAR1 (0.33) SIGMAR1DHFRMAOAL3MBTL1CYP1A2
SCHEMBL15762775 0.91 SIGMAR1 (0.36) SIGMAR1DHFRMAOAL3MBTL1CYP2A6
SCHEMBL13333928 0.91 SIGMAR1 (0.35) SIGMAR1DHFRMAOAL3MBTL1CYP2A6
SCHEMBL12014668 0.88 SIGMAR1 (0.38) SIGMAR1DHFRL3MBTL1CYP1A2SLC6A2
SCHEMBL12928338 0.88 SIGMAR1 (0.38) SIGMAR1DHFRL3MBTL1CYP1A2SLC6A2
SCHEMBL15762766 0.87 SIGMAR1 (0.34) SIGMAR1MAOACYP2A6CYP1A2
SCHEMBL13333656 0.87 SIGMAR1 (0.38) SIGMAR1DHFRL3MBTL1CYP1A2ALDH1A1
SCHEMBL14516042 0.85 SIGMAR1 (0.37) SIGMAR1DHFRL3MBTL1CYP1A2CYP1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8647753-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2014-02-11 — — US disclosed
US-8647753-B2 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2014-02-11 — — US disclosed
US-20070087222-A1 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2007-04-19 — — US disclosed
US-20070087222-A1 Organic electroluminescence device LG DISPLAY CO., LTD. (KR) 2007-04-19 — — US disclosed
EP-1775334-A1 Organic electroluminescence device LG Electronics Inc. (KR) 2007-04-18 — — EP disclosed
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