SCHEMBL1028452

SCHEMBL1028452

O=C(NN=C(c1ccccn1)c1ccccn1)c1ccccc1

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 8/20 0.91
▸ RAB9A P51151 8/20 0.71
▸ SMN1; SMN2 Q16637 7/20 0.71
▸ HTT P42858 5/20 0.71
▸ LMNA P02545 5/20 0.71
▸ TDP1 Q9NUW8 3/20 0.71
▸ ALDH1A1 P00352 3/20 0.71
▸ MAPT P10636 2/20 0.71
▸ KDM4E B2RXH2 1/20 0.71
▸ KMT2A Q03164 7/20 0.68
▸ MEN1 O00255 4/20 0.68
▸ NPSR1 Q6W5P4 3/20 0.68
▸ HPGD P15428 3/20 0.68
▸ NPC1 O15118 6/20 0.67
▸ NCOA3 Q9Y6Q9 2/20 0.67
▸ NCOA1 Q15788 1/20 0.67
▸ OPRK1 P41145 3/20 0.64
▸ MITF O75030 2/20 0.64
▸ TP53 P04637 1/20 0.63
▸ POLB P06746 1/20 0.63

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
SCHEMBL27178069 0.95 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL15741850 0.95 AGTR1 (1.00) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1025581 0.91 AGTR1 (0.76) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1028098 0.89 AGTR1 (0.74) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720823 0.89 AGTR1 (0.88) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720802 0.88 AGTR1 (0.71) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1024477 0.88 AGTR1 (0.72) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12955913 0.84 AGTR1 (0.67) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL1026284 0.84 RAB9A (0.77) AGTR1RAB9ASMN1; SMN2HTTLMNA
SCHEMBL12720825 0.84 AGTR1 (0.66) 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 2 patents. 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
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP disclosed
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