SCHEMBL6076909

SCHEMBL6076909

CC(=O)CCC(=O)NCc1cccs1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.73
POLB P06746 3/20 0.68
TSHR P16473 2/20 0.68
MAPT P10636 2/20 0.68
HPGD P15428 6/20 0.66
ALDH1A1 P00352 1/20 0.66
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
HTT P42858 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TRPM8 Q7Z2W7 1/20 0.55
GRK2 P25098 1/20 0.54
PTPN7 P35236 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL8269659 0.85 USP2 (0.76) USP2POLBTSHRMAPTHPGD
SCHEMBL13438260 0.85 USP2 (0.93) USP2POLBTSHRMAPTHPGD
SCHEMBL1709325 0.81 HPGD (0.72) USP2POLBTSHRMAPTHPGD
SCHEMBL8269685 0.81 USP2 (0.85) USP2POLBTSHRMAPTHPGD
SCHEMBL6076797 0.81 USP2 (0.69) USP2POLBTSHRMAPTHPGD
SCHEMBL885325 0.81 POLB (0.68) USP2POLBTSHRMAPTHPGD
SCHEMBL6076763 0.81 HPGD (0.66) USP2POLBTSHRMAPTHPGD
SCHEMBL28179817 0.81 USP2 (0.84) USP2POLBTSHRMAPTHPGD
SCHEMBL17205973 0.81 USP2 (0.84) USP2POLBTSHRMAPTHPGD
SCHEMBL9784530 0.80 USP2 (0.82) USP2POLBTSHRMAPTHPGD

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
US-7098247-B2 Arylene-carboxylic acid (2-amino-phenyl)-amide derivatives HOFFMANN-LA ROCHE INC. (US) 2006-08-29 US disclosed