SCHEMBL3795498

SCHEMBL3795498

Fc1cccc(Cl)c1-c1nc(Br)c(-c2ccc(-c3noc(-c4ccccc4)n3)nc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.45
MAPK14 Q16539 2/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
PKM P14618 3/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
KLF5 Q13887 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL13076234 0.87 PTGES (0.61) PTGESMAPK14RAB9ANPC1TP53
SCHEMBL3790517 0.85 PTGES (0.54) PTGESRAB9ANPC1TP53SMN1; SMN2
SCHEMBL3790934 0.84 RAB9A (0.50) PTGESMAPK14RAB9ANPC1TP53
SCHEMBL13076233 0.83 RAB9A (0.43) PTGESRAB9ANPC1TP53SMN1; SMN2
SCHEMBL3800580 0.82 PTGES (0.50) PTGESMAPK14JAK2
SCHEMBL3790737 0.78 PTGES (0.49) PTGESMAPK14RAB9ANPC1SMN1; SMN2
SCHEMBL3793065 0.78 PTGES (0.47) PTGESMAPK14JAK2
SCHEMBL3805843 0.78 PTGES (0.46) PTGESMAPK14JAK2
SCHEMBL3795197 0.77 PTGES (0.47) PTGESMAPK14JAK2
SCHEMBL13075627 0.77 PTGES (0.47) PTGESMAPK14RAB9ANPC1SMN1; SMN2

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