SCHEMBL6818082

SCHEMBL6818082

N#Cc1ccc(NC(=O)c2onc3ccc(NC(=O)c4ccccc4)cc23)c(C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50
IP6K1 Q92551 1/20 0.46
IP6K3 Q96PC2 1/20 0.46
IP6K2 Q9UHH9 1/20 0.46
ALB P02768 2/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 2/20 0.44
PKM P14618 2/20 0.44
GRIK1 P39086 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
NR1H4 Q96RI1 1/20 0.42
LTC4S Q16873 1/20 0.42

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
SCHEMBL6818988 0.87 LMNA (0.49) KMT2AMEN1PKMNPC1RAB9A
SCHEMBL6818221 0.86 ALB (0.44) ALBKMT2AMEN1MAPTPKM
SCHEMBL6814368 0.85 GPR27 (0.46) ALBKMT2AMEN1
SCHEMBL6819716 0.85 PRSS12 (0.47) IP6K1IP6K3IP6K2ALBKMT2A
SCHEMBL6834155 0.85 F2 (0.50) F2PLGPLAUKLKB1PRSS1
SCHEMBL6818947 0.84 ALB (0.42) ALBKMT2AMEN1LRRK2
SCHEMBL6815109 0.84 ALB (0.40) ALBHTT
SCHEMBL6818466 0.84 KDM4C (0.43) ALBLRRK2
SCHEMBL6819320 0.84 IP6K1 (0.45) IP6K1IP6K3IP6K2ALBMAPT
SCHEMBL6814346 0.83 ALB (0.42) ALBKMT2AMEN1MAPTTDP1

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-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed