SCHEMBL3399530

SCHEMBL3399530

Cc1cc(-c2ccc(Br)cc2)nn1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
PDE4B Q07343 2/20 0.46
RXFP1 Q9HBX9 1/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MCL1 Q07820 2/20 0.43
EPRS1 P07814 1/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL21198256 0.80 MAPT (0.44) PTGS2NPC1RAB9ARXFP1NR1H2
SCHEMBL3400232 0.80 PHGDH (0.43) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL13425885 0.80 PTGS2 (0.43) PTGS2NPC1RAB9APDE4BRXFP1
SCHEMBL3393979 0.79 PDE4B (0.50) NPC1RAB9APDE4BMAPTMEN1
SCHEMBL3395570 0.77 MAPT (0.47) MAPTKDM4EGAAL3MBTL1
SCHEMBL3395650 0.75 KMO (0.49) MAPTALDH1A1
SCHEMBL3399098 0.74 PDE4B (0.49) PDE4BKDM4EGAA
SCHEMBL3398387 0.74 PTGS2 (0.53) PTGS2NPC1RAB9APDE4BMAPT
SCHEMBL4692583 0.71 PTPN1 (0.52) RXFP1MAPTMEN1KMT2AMCL1
SCHEMBL4898612 0.70 NPC1 (0.47) PTGS2NPC1RAB9ARXFP1MAPT

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
WO-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed