SCHEMBL1024477

SCHEMBL1024477

Nc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 0.72
▸ RAB9A P51151 11/20 0.62
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HTT P42858 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ MAPT P10636 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ HPGD P15428 1/20 0.59
▸ NPC1 O15118 8/20 0.58
▸ OPRK1 P41145 4/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ NCOA3 Q9Y6Q9 2/20 0.54
▸ NCOA1 Q15788 1/20 0.54
▸ MITF O75030 2/20 0.53
▸ TP53 P04637 1/20 0.52

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
SCHEMBL1028452 0.88 AGTR1 (0.91) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1028098 0.87 AGTR1 (0.74) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1025581 0.85 AGTR1 (0.76) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL27178069 0.84 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL15741850 0.84 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720802 0.83 AGTR1 (0.71) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1025210 0.80 AGTR1 (0.46) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720825 0.79 AGTR1 (0.66) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720823 0.78 AGTR1 (0.88) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12955913 0.77 AGTR1 (0.67) AGTR1RAB9ASMN1; SMN2HTTLMNA

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-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP claimed
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