SCHEMBL6554323

SCHEMBL6554323

CC(=O)Oc1ccc(S(=O)(=O)c2ccc(CCN)cn2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
PKM P14618 1/20 0.52
HTR2A P28223 2/20 0.50
KCNH2 Q12809 2/20 0.50
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
HTR6 P50406 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 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
SCHEMBL6554319 0.89 HTR2A (0.49) POLBMAPTPKMHTR2AKCNH2
SCHEMBL6540742 0.85 HTR2A (0.55) POLBPKMHTR2AKCNH2HTR6
SCHEMBL6541334 0.83 ALDH1A1 (0.57) HTR2AKCNH2HTR6
SCHEMBL12569396 0.77 TAAR1 (0.57) POLBMAPTPKMELANECYP1A2
SCHEMBL6540432 0.74 KCNH2 (0.45) POLBMAPTHTR2AKCNH2KMT2A
SCHEMBL6552886 0.74 HTR2A (0.48) POLBMAPTPKMHTR2AKCNH2
SCHEMBL9343618 0.72 PKM (1.00) POLBMAPTPKMKMT2AMEN1
SCHEMBL6553077 0.71 CA2 (0.46) HTR2AKCNH2CA12CA1CA2
SCHEMBL6540455 0.71 ALDH1A1 (0.50) POLBHTR2AKCNH2KMT2ACA12
SCHEMBL6553232 0.69 HTR2A (0.51) MAPTHTR2AKCNH2CYP11B1CYP11B2

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
EP-1389185-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-18 EP disclosed
WO-2002094770-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-28 WO disclosed