SCHEMBL8705993

SCHEMBL8705993

COC(=O)c1cc(S(C)(=O)=O)c(-n2ccnc2)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA13 Q8N1Q1 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CGAS Q8N884 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8706213 0.87 HTT (0.47) HTTMAPTAAK1NR1I2
SCHEMBL8704442 0.86 AAK1 (0.45) HTTMAPTAAK1CGASTSHR
SCHEMBL8701815 0.86 HTT (0.43) HTTMAPTAAK1ALDH1A1
SCHEMBL8700673 0.85 HTT (0.42) HTTMAPTNPSR1AAK1MEN1
SCHEMBL8703295 0.83 HTT (0.41) HTTMAPTNPSR1AAK1ALDH1A1
SCHEMBL8704888 0.83 HTT (0.41) HTTMAPTNPSR1AAK1ALDH1A1
SCHEMBL8705466 0.83 HTT (0.41) HTTMAPTAAK1KMT2AALDH1A1
SCHEMBL8700122 0.83 ALDH1A1 (0.42) HTTMAPTAAK1MEN1KMT2A
SCHEMBL8705327 0.83 HTT (0.41) HTTMAPTNPSR1AAK1MEN1
SCHEMBL8703972 0.82 MAPT (0.56) HTTMAPTMEN1KMT2A

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-5753680-A Heterocyclyl-benzoylguanidines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed