SCHEMBL3801465

SCHEMBL3801465

Nc1nc(Br)ccc1NC(=O)c1c[nH]c(-c2c(F)cccc2Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TP53 P04637 1/20 0.35
PTGES O14684 7/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
JAK2 O60674 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3800201 0.84 PTGES (0.43) KMT2AMEN1TP53PTGESNPC1
SCHEMBL3800584 0.82 PTGES (0.44) ALOX15KMT2AMEN1TP53PTGES
SCHEMBL2360979 0.76 PTGES (0.43) ALOX15PTGESJAK2KDM4ETSHR
SCHEMBL13075516 0.71 NPC1 (0.46) KMT2AMEN1TP53PTGESNPC1
SCHEMBL4786450 0.71 HDAC1 (0.46) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL3796320 0.69 PTGES (0.49) PTGESJAK2PIM1CSNK2A2CSNK2B
SCHEMBL22428191 0.69 POLB (0.49)
SCHEMBL4786449 0.68 HDAC1 (0.42) KMT2AMEN1PTGESKDM4ENPSR1
SCHEMBL13075532 0.67 GCGR (0.40) PTGESLMNAHPGD
SCHEMBL13075541 0.67 KDM4E (0.43) PTGESNPC1RAB9AKDM4EALDH1A1

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-2010127152-A2 COMPOUNDS AND COMPOSITIONS AS MICROSOMAL PROSTAGLANDIN E SYNTHASE-1 INHIBITORS IRM LLC (BM) 2010-11-04 WO disclosed