SCHEMBL6554530

SCHEMBL6554530

CC(=O)Oc1ccc(S(=O)(=O)c2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
ATM Q13315 1/20 0.60
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA9 Q16790 3/20 0.56
CA4 P22748 2/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
OPRM1 P35372 2/20 0.53
OPRD1 P41143 2/20 0.53
OPRK1 P41145 2/20 0.53
BCHE P06276 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTR6 P50406 2/20 0.50

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
SCHEMBL6554527 0.88 MEN1 (0.57) MEN1KMT2AATMCA1CA2
SCHEMBL579714 0.87 OPRM1 (0.68) MEN1KMT2AATMMAPTNPC1
SCHEMBL6554088 0.85 CA1 (0.53) MEN1KMT2AATMCA1CA2
SCHEMBL6540208 0.85 MEN1 (0.73) MEN1KMT2AATMCA1CA2
SCHEMBL6677345 0.84 CA1 (0.53) MEN1KMT2AATMCA1CA2
SCHEMBL6541001 0.83 TBXA2R (0.62) MEN1KMT2AATMCA1CA2
SCHEMBL6541617 0.81 CA1 (0.58) MEN1KMT2AATMCA1CA2
SCHEMBL6805116 0.81 CA1 (0.63) MEN1KMT2AATMCA1CA2
SCHEMBL597987 0.80 CA1 (0.69) MEN1KMT2AATMCA1CA2
SCHEMBL6540205 0.80 CA1 (0.69) MEN1KMT2AATMCA1CA2

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