SCHEMBL16418445

SCHEMBL16418445

Cc1nc2ccc(-c3ccc(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)cc3)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.54
▸ RAB9A P51151 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.51
▸ PIK3CA P42336 1/20 0.51
▸ PI4KA P42356 1/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ PIK3CG P48736 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ABL1 P00519 1/20 0.44

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
SCHEMBL1983093 0.88 PIK3CA (0.65) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL13862728 0.88 PIK3CA (0.65) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL27560795 0.80 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL13862738 0.79 TDP1 (0.51) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL13862690 0.78 TDP1 (0.50) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL13862769 0.76 SMN1; SMN2 (0.74) NPC1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL470958 0.76 PIK3CA (0.66) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL13862702 0.76 APP (0.58) NPC1RAB9ASMN1; SMN2HTTTDP1
SCHEMBL23114373 0.76 SMN1; SMN2 (0.59) NPC1RAB9ASMN1; SMN2KMT2AHTT
SCHEMBL27560796 0.75 TDP1 (0.49) NPC1RAB9ASMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 — — US disclosed
US-9279806-B2 Water-soluble AIE luminogens for monitoring and retardation of fibrillation of amyloid proteins THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-03-08 — — US disclosed
US-20150031607-A1 WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-29 — — US disclosed
US-20150031607-A1 WATER-SOLUBLE AIE LUMINOGENS FOR MONITORING AND RETARDATION OF FIBRILLATION OF AMYLOID PROTEINS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-01-29 — — US disclosed
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