SCHEMBL13744652

SCHEMBL13744652

COCN(c1ccccc1)S(=O)(=O)c1ccsc1C=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
LMNA P02545 5/20 0.43
TP53 P04637 2/20 0.43
THRB P10828 1/20 0.43
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 1/20 0.34
ESR1 P03372 2/20 0.33
NSD2 O96028 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
ESR2 Q92731 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL534172 0.81 POLB (0.60) POLBLMNATP53THRBTSHR
SCHEMBL14361065 0.79 POLB (0.55) POLBLMNATP53THRBTSHR
SCHEMBL8324919 0.79 POLB (0.57) POLBLMNATP53THRBTSHR
SCHEMBL534085 0.79 POLB (0.73) POLBLMNATP53THRB
SCHEMBL1466311 0.67 NPSR1 (0.56) POLBTSHRALDH1A1
SCHEMBL13744464 0.64 NR1I2 (0.39) LMNATSHRMAPK1ALDH1A1ESR1
SCHEMBL13744726 0.63 KEAP1 (0.46) TSHRALDH1A1
SCHEMBL10092343 0.61 KEAP1 (0.42) POLBMAPK1ALDH1A1L3MBTL1
SCHEMBL9632119 0.60 SLC6A1 (0.33) ALDH1A1APEX1RECQLTDP1L3MBTL1
SCHEMBL1466367 0.59 LOX (0.41) POLBLMNAMAPK1ALDH1A1

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-7579340-B2 Phenylenediamine urotensin-II receptor antagonists and CCR-9 antagonists PFIZER INC (US) 2009-08-25 US disclosed