SCHEMBL4732141

SCHEMBL4732141

O=C(O)N(C=S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
TRPM8 Q7Z2W7 2/20 0.38
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
HTT P42858 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 2/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PAX8 Q06710 1/20 0.36
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL3244381 0.83 KMT2A (0.46) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL3664782 0.79 NPSR1 (0.46) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL3257322 0.77 NPSR1 (0.44) NPSR1TRPM8ALDH1A1KMT2ANPC1
Hydrochloric Acid SCHEMBL7127166 0.77 NPSR1 (0.44) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL27457020 0.76 TRPM8 (0.46) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL6871207 0.74 ALDH1A1 (0.50) ALDH1A1KMT2AGLAPOLBTSHR
SCHEMBL733882 0.72 ALDH1A1 (0.35) NPSR1ALDH1A1KMT2ANPC1HTT
Phenol SCHEMBL29260292 0.71 TDP1 (0.42) NPSR1TRPM8ALDH1A1KMT2ARAB9A
SCHEMBL4236726 0.69 HTT (0.39) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL3245513 0.69 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2ANPC1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed