SCHEMBL6554233

SCHEMBL6554233

CC(=O)Oc1ccc(S(=O)(=O)c2ccc(CCNC(=O)C(F)(F)F)c(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
MTNR1A P48039 4/20 0.46
MTNR1B P49286 3/20 0.46
TRPV1 Q8NER1 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ABCB11 O95342 1/20 0.40
NQO2 P16083 2/20 0.39
PTPRC P08575 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTPN13 Q12923 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
ELANE P08246 1/20 0.38

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
SCHEMBL6554230 0.91 MTNR1A (0.44) POLBMAPTPKMMTNR1AMTNR1B
SCHEMBL6540614 0.90 MTNR1A (0.54) PKMMTNR1AMTNR1BTRPV1NQO2
SCHEMBL6540852 0.85 ALDH1A1 (0.51) MTNR1AMTNR1BTRPV1PTPRCPTPN1
SCHEMBL6540686 0.81 MTNR1A (0.43) MTNR1AMTNR1BTRPV1KMT2AMEN1
SCHEMBL6539895 0.77 KMT2A (0.49) MAPTPKMMTNR1AMTNR1BKMT2A
SCHEMBL6541141 0.75 NLRP3 (0.49) KMT2AMEN1
SCHEMBL6554075 0.74 KMT2A (0.45) POLBMAPTPKMTRPV1KMT2A
SCHEMBL6677713 0.74 CA1 (0.43) MAPTKMT2AMEN1CACNA1BAPBA1
SCHEMBL6540276 0.74 CA1 (0.55) MAPTABCB11
SCHEMBL6677005 0.74 TSHR (0.47) POLBKMT2AMEN1

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