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SCHEMBL13049543

SCHEMBL13049543

Cc1ccc(N(c2ccc(C)c(C)c2)c2cc(C)c(-c3c(C)cc(N(c4cc(C)c(-c5c(C)cc(N(c6ccc(C)cc6)c6ccc(C)c(C)c6)cc5C)c(C)c4)c4cc(C)c(-c5c(C)cc(N(c6ccc(C)cc6)c6ccc(C)c(C)c6)cc5C)c(C)c4)cc3C)c(C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ TSHR P16473 1/20 0.38
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ S1PR1 P21453 1/20 0.34
▸ HSD17B1 P14061 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ S100B P04271 1/20 0.32
▸ TDP1 Q9NUW8 3/20 0.32
▸ ACHE P22303 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL139354 0.92 ALDH1A1 (0.41) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL7764832 0.92 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL14186200 0.92 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL7765887 0.92 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL15025906 0.92 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1S100B
SCHEMBL10066013 0.92 ALDH1A1 (0.44) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL13049485 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPTNPSR1SMN1; SMN2
SCHEMBL14981802 0.86 HSD17B1 (0.41) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL10092969 0.86 HSD17B1 (0.41) ALDH1A1TSHRMAPTNPSR1S1PR1
SCHEMBL22317605 0.86 HSD17B1 (0.41) ALDH1A1TSHRMAPTNPSR1S1PR1

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
EP-1464691-B1 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS INC (JP) 2013-10-02 — — EP disclosed
US-7839075-B2 Organic electroluminescent element, illuminator and display KONICA MINOLTA HOLDINGS, INC. (JP) 2010-11-23 — — US disclosed
US-7839075-B2 Organic electroluminescent element, illuminator and display KONICA MINOLTA HOLDINGS, INC. (JP) 2010-11-23 — — US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 — — US disclosed
US-7485376-B2 Organic electroluminescent element, illuminator, and display KONICA MINOLTA HOLDINGS, INC. (JP) 2009-02-03 — — US disclosed
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