SCHEMBL9216847

SCHEMBL9216847

CNC(=S)[C@@]1(c2cccnc2)CCCC[C@@H]1C(C)NS(=O)(=O)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 6/20 0.38
PKM P14618 2/20 0.36
ESR1 P03372 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APP P05067 1/20 0.32
KMT2A Q03164 2/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31

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
SCHEMBL9216670 0.87 P2RX7 (0.33) GAAALDH1A1KMT2A
SCHEMBL9217629 0.87 SLC1A3 (0.36) TSHRALDH1A1PKMHTTKMT2A
SCHEMBL9219652 0.86 ALDH1A1 (0.38) TSHRGAAALDH1A1PKMMAPT
SCHEMBL9211998 0.86 ALDH1A1 (0.38) TSHRGAAALDH1A1PKMMAPT
SCHEMBL9211995 0.85 GRIA2 (0.32) GAAALDH1A1
SCHEMBL9211109 0.84 MEN1 (0.37) TSHRKDM4EGAAALDH1A1MAPT
SCHEMBL9219765 0.84 ALDH1A1 (0.39) GAAALDH1A1KMT2A
SCHEMBL9214348 0.83 GAA (0.33) GAAALDH1A1MAPTKMT2A
SCHEMBL9210074 0.83 PKM (0.32) ALDH1A1PKMKMT2A
SCHEMBL9215115 0.82 KEAP1 (0.39) TSHRKDM4EALDH1A1PKMMAPT

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
EP-0510028-B1 THIOFORMAMIDE DERIVATIVES RHONE POULENC RORER SA (FR) 1995-03-15 EP claimed