SCHEMBL1026284

SCHEMBL1026284

O=C(NN=C(c1ccccn1)c1ccccn1)c1cccc(Br)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.77
▸ NPC1 O15118 7/20 0.77
▸ AGTR1 P30556 5/20 0.77
▸ OPRK1 P41145 3/20 0.77
▸ SMN1; SMN2 Q16637 6/20 0.62
▸ HTT P42858 5/20 0.62
▸ LMNA P02545 4/20 0.62
▸ NPSR1 Q6W5P4 3/20 0.62
▸ MITF O75030 2/20 0.62
▸ MEN1 O00255 4/20 0.61
▸ KMT2A Q03164 4/20 0.61
▸ TDP1 Q9NUW8 3/20 0.61
▸ ALDH1A1 P00352 3/20 0.61
▸ POLB P06746 1/20 0.61
▸ MAPT P10636 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ KDM4E B2RXH2 2/20 0.55
▸ NCOA3 Q9Y6Q9 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ NCOA1 Q15788 1/20 0.54

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
SCHEMBL27178161 0.87 NPC1 (1.00) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL27178156 0.87 NPC1 (1.00) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL30826084 0.87 NPC1 (1.00) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL1028452 0.84 AGTR1 (0.91) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL12955913 0.84 AGTR1 (0.67) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL4879133 0.83 NPC1 (0.68) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL4879141 0.83 NPC1 (0.68) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL1026088 0.81 NPC1 (0.56) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL28639316 0.81 TLR7 (0.71) RAB9ANPC1AGTR1OPRK1SMN1; SMN2
SCHEMBL15741850 0.80 AGTR1 (1.00) RAB9ANPC1AGTR1OPRK1SMN1; SMN2

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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