SCHEMBL9734732

SCHEMBL9734732

O=S(=O)(c1cccc(OCc2ccccc2)n1)n1cccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
KAT8 Q9H7Z6 1/20 0.39
GRM5 P41594 3/20 0.38
TRPV3 Q8NET8 1/20 0.38
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALKBH1 Q13686 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA12 O43570 2/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR1A P08908 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
SCHEMBL9733818 0.82 POLB (0.46) PKMKAT8GRM5L3MBTL1
SCHEMBL9734839 0.80 CA1 (0.50) PKMKAT8GRM5TRPV3CA1
SCHEMBL9736020 0.78 L3MBTL1 (0.49) MAPTMAPK1L3MBTL1
SCHEMBL2524154 0.76 L3MBTL1 (0.52) PKMGRM5TRPV3MAPTMAPK1
SCHEMBL9866569 0.75 AR (0.51) KAT8TDP1
SCHEMBL9734248 0.74 CA1 (0.38) CA1CA2
SCHEMBL9865370 0.73 AR (0.39) PKMKAT8GRM5TRPV3MAPT
SCHEMBL9867527 0.73 TRPV3 (0.44) PKMKAT8GRM5TRPV3MAPK1
SCHEMBL9866386 0.73 MEN1 (0.43) PKMKAT8GRM5TRPV3L3MBTL1
SCHEMBL9867413 0.73 TRPV3 (0.46) PKMKAT8TRPV3MAPK1L3MBTL1

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
US-5137886-A Agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-11 US disclosed
EP-0433001-A1 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-19 EP disclosed