SCHEMBL6426650

SCHEMBL6426650

O=C(Nc1ccccc1C(=O)O)c1ccccc1Br

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 3/20 0.60
PKM P14618 1/20 0.60
DHODH Q02127 2/20 0.58
TP53 P04637 1/20 0.57
RXFP1 Q9HBX9 1/20 0.55
FABP4 P15090 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
SCHEMBL22191760 0.88 KMT2A (0.76) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL28695522 0.87 KMT2A (0.70) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL29740659 0.86 KMT2A (0.79) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL1308673 0.85 AKR1C2 (0.62) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL2058331 0.85 ALDH1A1 (0.68) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1308617 0.84 PTPRC (0.59) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL1308303 0.83 TP53 (0.78) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1309907 0.83 GRIK1 (0.71) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL1308455 0.82 PTPN1 (0.60) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1
SCHEMBL358066 0.81 KMT2A (0.72) KMT2ATDP1L3MBTL1SMN1; SMN2NPC1

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-1212056-B1 METHODS AND COMPOSITIONS FOR BISUBSTRATE INHIBITORS OF ACETYLTRANSFERASES US GOV HEALTH & HUMAN SERV (US) 2005-12-07 EP disclosed