SCHEMBL4732140

SCHEMBL4732140

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
ALDH1A1 P00352 7/20 0.38
KMT2A Q03164 3/20 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
TSHR P16473 2/20 0.38
POLB P06746 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
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 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
SCHEMBL3237294 0.83 NPSR1 (0.41) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL3664780 0.79 NPSR1 (0.46) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL483415 0.77 NPSR1 (0.44) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL11376555 0.74 NPSR1 (0.41) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL6870378 0.74 ALDH1A1 (0.50) ALDH1A1KMT2ANPC1GLATSHR
SCHEMBL15611386 0.72 NPSR1 (0.40) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL768588 0.70 NPSR1 (0.38) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL3245508 0.69 ALDH1A1 (0.41) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL5485579 0.69 NPSR1 (0.50) NPSR1ALDH1A1KMT2ANPC1HTT
SCHEMBL3239982 0.68 NPSR1 (0.44) 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