SCHEMBL1027198

SCHEMBL1027198

CCCCCCCCCCCCCCC(=NNC(=O)c1ccc(O)cc1)C(c1ccccn1)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.45
▸ GAA P10253 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP1A2 P05177 2/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HSD17B3 P37058 6/20 0.42
▸ KDM1A O60341 1/20 0.42
▸ AGTR1 P30556 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ OPRK1 P41145 1/20 0.39

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
SCHEMBL1025805 0.93 SMN1; SMN2 (0.46) MAPTGAARAB9ALMNAHTT
SCHEMBL1025204 0.91 MAPT (0.47) MAPTGAANPC1RAB9ALMNA
SCHEMBL1026536 0.91 NAAA (0.45) MAPTGAANPC1RAB9ALMNA
SCHEMBL1027999 0.86 HSD17B3 (0.41) MAPTGAANPC1RAB9ALMNA
SCHEMBL1023783 0.85 OGG1 (0.54) MAPTGAANPC1RAB9ALMNA
SCHEMBL1027788 0.79 LMNA (0.43) NPC1RAB9ALMNAHTTSMN1; SMN2
SCHEMBL1027263 0.78 TOP2A (0.46) GAANPC1RAB9ALMNAHTT
SCHEMBL1026097 0.78 CYP1A2 (0.40) MAPTGAANPC1RAB9ALMNA
SCHEMBL1027939 0.78 LMNA (0.41) MAPTNPC1RAB9ALMNAHTT
SCHEMBL1028980 0.78 TOP2A (0.51) MAPTGAANPC1RAB9ALMNA

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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