SCHEMBL7085689

SCHEMBL7085689

O=C(O)NS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.55
TAS2R14 Q9NYV8 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.48
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44

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
SCHEMBL3196609 0.84 NPC1 (0.51) MEN1KMT2AMAPTALDH1A1POLB
SCHEMBL17784998 0.81 TSHR (0.57) CA2MEN1KMT2AALDH1A1GAA
SCHEMBL15212712 0.77 CA2 (0.55) CA2TAS2R14MEN1KMT2AMAPT
SCHEMBL673366 0.74 CA2 (0.68) CA2TAS2R14MEN1KMT2AMAPT
SCHEMBL7082389 0.74 MMP3 (0.50) CA2MEN1KMT2AALDH1A1NPC1
Ethane SCHEMBL23927829 0.72 CA2 (0.59) CA2TAS2R14MEN1KMT2AMAPT
SCHEMBL5772823 0.72 ESR1 (0.44) KMT2AALDH1A1POLBHTTNPC1
SCHEMBL9492107 0.72 CA1 (0.64) CA2KMT2AALDH1A1
SCHEMBL6421016 0.72 CA2 (0.53) CA2TAS2R14MEN1KMT2AMAPT
SCHEMBL10312253 0.71 ALDH1A1 (0.64) CA2ALDH1A1POLBSMN1; SMN2GAA

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-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP claimed