SCHEMBL27707362

SCHEMBL27707362

CC(C)CN(CO[SH](=O)=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 2/20 0.55
ALB P02768 1/20 0.55
HTR1A P08908 1/20 0.55
SLC6A2 P23975 1/20 0.55
PDE4A P27815 1/20 0.55
OPRM1 P35372 1/20 0.55
DRD3 P35462 1/20 0.55
HTR2B P41595 1/20 0.55
SLC6A3 Q01959 1/20 0.55
PDE4D Q08499 1/20 0.55
SHH Q15465 1/20 0.55
SLC29A1 Q99808 1/20 0.55
SMO Q99835 1/20 0.55
ABCG2 Q9UNQ0 1/20 0.55
GRM4 Q14833 1/20 0.40

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
SCHEMBL1017432 0.82 USP28 (0.66) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL27688080 0.81 USP28 (0.62) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL27688103 0.81 USP28 (0.66) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL26036977 0.80 USP28 (0.64) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL27688158 0.78 USP28 (0.62) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL1016564 0.76 USP28 (0.72) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL1252917 0.75 ALB (0.66) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL30572106 0.75 ALB (0.66) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL19005840 0.75 USP28 (0.68) USP28ALBHTR1ASLC6A2PDE4A
SCHEMBL1017431 0.75 USP28 (0.65) USP28ALBHTR1ASLC6A2PDE4A

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-101072755-A Pyridyl inhibitors of Hedgehog signaling GENENTECH INC (US) 2007-11-14 CN disclosed