SCHEMBL4735455

SCHEMBL4735455

CC(C)c1ccccc1SC(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
LMNA P02545 3/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
GABRB1 P18505 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
GABRG2 P18507 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 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
SCHEMBL10585500 0.79 CA1 (0.53) GABRA1GABRB2LMNAKMT2AGABRB1
SCHEMBL7265720 0.78 GABRA1 (0.42) GABRA1GABRB2LMNAKMT2AGABRB1
SCHEMBL6950808 0.76 LMNA (0.42) GABRA1GABRB2LMNAKMT2AGABRB1
SCHEMBL24812139 0.76 ALDH1A1 (0.41) LMNAKMT2APOLBCA1CA2
SCHEMBL11588112 0.76 CYSLTR2 (0.41) LMNAKMT2ACYP3A4HTR2CGAA
SCHEMBL10970015 0.76 NPC1 (0.37) LMNAKMT2APOLBCA1CA2
SCHEMBL4736600 0.75 ALDH1A1 (0.39) GABRA1GABRB2KMT2ACA1CA2
SCHEMBL10824330 0.74 IDO1 (0.47) KMT2APOLBHPGDTSHRALDH1A1
SCHEMBL9492144 0.74 POLQ (0.41) LMNASLC6A2ALDH1A1GAA
SCHEMBL16387187 0.73 CA12 (0.50) LMNAKMT2APOLBCA1CA2

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-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO disclosed