SCHEMBL6985566

SCHEMBL6985566

N#Cc1ccc(CCC(=O)N2CCCc3cccc(NS(=O)(=O)Cc4ccccc4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP14 Q460N5 1/20 0.40
NR3C1 P04150 2/20 0.38
ATM Q13315 1/20 0.38
FPR1 P21462 2/20 0.37
FPR2 P25090 2/20 0.37
ABCC1 P33527 1/20 0.37
DPP8 Q6V1X1 1/20 0.37
DPP9 Q86TI2 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
AR P10275 1/20 0.36
NPC1 O15118 2/20 0.36
PTGER4 P35408 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TP53 P04637 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
SCHEMBL6985322 0.89 GAA (0.41) NR3C1FPR1FPR2TSHRMEN1
SCHEMBL6982945 0.89 NR3C1 (0.36) NR3C1ATMFPR1FPR2DPP8
SCHEMBL6984143 0.87 NR3C1 (0.37) NR3C1ATMFPR1FPR2ALDH1A1
SCHEMBL6982761 0.87 HDAC1 (0.35) NR3C1ATMFPR1FPR2DPP8
SCHEMBL6980994 0.86 RXRA (0.43) ATMFPR1FPR2TSHRMEN1
SCHEMBL6978202 0.86 ALDH1A1 (0.37) NR3C1ATMFPR1FPR2DPP8
SCHEMBL6978509 0.86 PTGER4 (0.40) NR3C1ATMFPR1FPR2DPP8
SCHEMBL6986817 0.85 THRB (0.42) ATMFPR1FPR2TSHRALDH1A1
SCHEMBL6981035 0.84 DPP8 (0.36) NR3C1ATMFPR1FPR2DPP8
SCHEMBL6986437 0.84 PTGER4 (0.41) ATMFPR1FPR2DPP8DPP9

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
EP-0991624-B1 PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT BOEHRINGER INGELHEIM PHARMA (DE) 2003-11-19 EP disclosed