SCHEMBL4403128

SCHEMBL4403128

CC1=C/C(=N\c2ccccc2)C(C)=C/C1=N/c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ MAPT P10636 4/20 0.37
▸ GAA P10253 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ MPI P34949 2/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ NOS3 P29474 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ TSHR P16473 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ ACHE P22303 1/20 0.35

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
SCHEMBL20198320 0.79 PABPC1 (0.44) MAPK1HTTALDH1A1PABPC1MAPT
SCHEMBL20198311 0.73 MAPK1 (0.41) MAPK1HTTALDH1A1PABPC1MAPT
SCHEMBL4402316 0.70 ALDH1A1 (0.42) MAPK1HTTALDH1A1MAPTGAA
SCHEMBL30965318 0.70 TP53 (0.37) MAPK1HTTALDH1A1MAPTGAA
SCHEMBL30965327 0.67 LMNA (0.33) MAPK1HTTALDH1A1MAPTGAA
SCHEMBL18805368 0.66 ALDH1A1 (0.55) HTTALDH1A1MAPTGAALMNA
SCHEMBL2204413 0.66 ALDH1A1 (0.55) HTTALDH1A1MAPTGAALMNA
SCHEMBL755432 0.61 ALDH1A1 (0.47) MAPK1HTTALDH1A1MAPTGAA
Azobenzene SCHEMBL11328908 0.60 ALDH1A1 (0.86) MAPK1HTTALDH1A1MAPTLMNA
Azobenzene SCHEMBL11328902 0.60 ALDH1A1 (0.86) MAPK1HTTALDH1A1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675930-B1 NEW MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2018-05-30 — — EP disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-8173276-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2012-05-08 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-20100102305-A1 MATERIALS FOR ELECTROLUMINESCENCE AND THE UTILIZATION THEREOF MERCK PATENT GMBH (DE) 2010-04-29 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-7659540-B2 Materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2010-02-09 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
US-20070080343-A1 New materials for electroluminescence and the utilization thereof MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
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