SCHEMBL12831751

SCHEMBL12831751

O=C(CBr)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.64
ABCC4 O15439 1/20 0.64
GAA P10253 1/20 0.64
TSHR P16473 1/20 0.64
PTGS1 P23219 1/20 0.64
HTT P42858 1/20 0.64
PTPN1 P18031 1/20 0.55
GSK3B P49841 1/20 0.55
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 4/20 0.51
FFAR1 O14842 2/20 0.50
HPGD P15428 2/20 0.49
MMP12 P39900 1/20 0.49
MAPT P10636 2/20 0.46
NR1H4 Q96RI1 1/20 0.46
SRD5A2 P31213 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC6A2 P23975 1/20 0.45

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
SCHEMBL1892394 0.87 CES1 (0.58) LMNAABCC4GAATSHRPTGS1
SCHEMBL11879591 0.87 LMNA (0.75) LMNAABCC4GAATSHRPTGS1
SCHEMBL7410335 0.85 LMNA (0.72) LMNAABCC4GAATSHRPTGS1
SCHEMBL12731513 0.85 LMNA (0.60) LMNAABCC4GAATSHRPTGS1
SCHEMBL28999752 0.82 LMNA (0.67) LMNAABCC4GAATSHRPTGS1
SCHEMBL12923057 0.80 LMNA (0.64) LMNAABCC4GAATSHRPTGS1
SCHEMBL6187747 0.80 LMNA (0.70) LMNAABCC4GAATSHRPTGS1
Felbinac SCHEMBL26084 0.79 LMNA (1.00) LMNAABCC4GAATSHRPTGS1
SCHEMBL3381526 0.78 LMNA (0.62) LMNAABCC4GAATSHRPTGS1
SCHEMBL10522051 0.78 ALDH1A1 (0.58) LMNAABCC4GAATSHRPTGS1

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-2011038293-A1 CYCLIC PEPTIDE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-03-31 WO disclosed