SCHEMBL8553954

SCHEMBL8553954

Clc1ccc(OCI)c(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
S1PR4 O95977 9/20 0.50
TSHR P16473 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.49
MAPT P10636 2/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
TTR P02766 1/20 0.47
PGR P06401 1/20 0.47
HSP90AA1 P07900 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
HSPA5 P11021 1/20 0.47
HPGD P15428 1/20 0.47
CBR1 P16152 1/20 0.47
TBXA2R P21731 1/20 0.47
SLC6A2 P23975 1/20 0.47
AGTR1 P30556 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL11413525 0.82 S1PR4 (0.66) TDP1S1PR4MAPT
SCHEMBL10379872 0.82 TDP1 (0.60) TDP1S1PR4TSHRMRGPRX4MAPT
SCHEMBL16999887 0.82 MAPT (0.55) TDP1S1PR4TSHRMAPTHPGD
SCHEMBL3275231 0.80 TDP1 (0.58) TDP1S1PR4TSHRMRGPRX4MAPT
SCHEMBL8410383 0.79 TDP1 (0.58) TDP1S1PR4TSHRMAPTHPGD
SCHEMBL8552696 0.79 MRGPRX4 (0.47) TDP1S1PR4MRGPRX4SLC6A2SLC6A3
SCHEMBL11840387 0.78 TDP1 (0.56) TDP1S1PR4TSHRMRGPRX4MAPT
SCHEMBL12360711 0.78 TDP1 (0.56) TDP1S1PR4TSHRMRGPRX4MAPT
SCHEMBL1547622 0.78 TDP1 (0.56) TDP1S1PR4TSHRMRGPRX4MAPT
SCHEMBL1547765 0.78 TDP1 (0.56) TDP1S1PR4TSHRMAPTHPGD

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
EP-0859765-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-26 EP disclosed
WO-1997011060-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-27 WO disclosed