SCHEMBL28428263

SCHEMBL28428263

C#Cc1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.49
PKM P14618 1/20 0.43
EIF2AK3 Q9NZJ5 1/20 0.41
PTGES2 Q9H7Z7 3/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
BRD4 O60885 1/20 0.40
SLC22A12 Q96S37 2/20 0.39
CCKBR P32239 1/20 0.37
CCR2 P41597 1/20 0.37
TP53 P04637 1/20 0.37
BRAF P15056 2/20 0.36
SLC16A3 O15427 1/20 0.36
PLK4 O00444 1/20 0.36
EPHB6 O15197 1/20 0.36
RIPK2 O43353 1/20 0.36
JAK2 O60674 1/20 0.36
ULK1 O75385 1/20 0.36
ERN1 O75460 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL7595736 0.78 SLC40A1 (0.61) SLC40A1PKMPTGES2CA1CA2
SCHEMBL22145982 0.77 SLC40A1 (0.59) SLC40A1PKMPTGES2CA1CA2
SCHEMBL16263833 0.76 SLC40A1 (0.52) SLC40A1PKMEIF2AK3PTGES2CA1
SCHEMBL21442625 0.76 SLC40A1 (0.52) SLC40A1PKMEIF2AK3PTGES2CA1
SCHEMBL26339156 0.75 BDKRB1 (0.50) SLC40A1PKMEIF2AK3PTGES2BRD4
SCHEMBL28422673 0.74 SLC40A1 (0.50) SLC40A1PKMEIF2AK3PTGES2CA1
SCHEMBL14717351 0.73 FABP4 (0.54) SLC40A1PKMCCKBR
SCHEMBL28422630 0.73 SLC40A1 (0.49) SLC40A1PKMEIF2AK3PTGES2CA1
SCHEMBL3026118 0.72 EIF2AK3 (0.48) SLC40A1PKMEIF2AK3PTGES2CA1
SCHEMBL22234291 0.70 KEAP1 (0.59) SLC40A1PKMPTGES2BRD4CCR2

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
CN-104829613-B Diaryl-substituted pyrazolo ring derivative, preparation method thereof and application thereof in medical field 赤峰蒙广生物科技有限公司 2020-06-09 CN disclosed