SCHEMBL7534666

SCHEMBL7534666

CC(C)CC(NS(=O)(=O)c1ccccc1)C(=O)Cn1nnc(-c2ccccc2)n1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MMP9 P14780 4/20 0.49
MMP2 P08253 3/20 0.49
HPGD P15428 1/20 0.49
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ3 P48549 1/20 0.46
MMP1 P03956 1/20 0.46
MMP3 P08254 1/20 0.46
MMP7 P09237 1/20 0.46
MMP13 P45452 1/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL4872360 1.00 MEN1 (0.55) MEN1KMT2AMMP9MMP2HPGD
SCHEMBL4870057 0.81 HPGD (0.59) MEN1KMT2AHPGDPKMHTT
SCHEMBL6450715 0.78 MEN1 (0.63) MEN1KMT2AHPGDPKMHTT
SCHEMBL6450720 0.78 MEN1 (0.63) MEN1KMT2AHPGDPKMHTT
Hydrochloric Acid SCHEMBL4871153 0.77 MEN1 (0.62) MEN1KMT2AHPGDPKMHTT
SCHEMBL4864524 0.77 MEN1 (0.56) MEN1KMT2AHPGDPKMHTT
SCHEMBL4912638 0.76 MEN1 (0.52) MEN1KMT2AHPGDPKMHTT
SCHEMBL4867428 0.75 MEN1 (0.51) MEN1KMT2AHPGDPKMHTT
SCHEMBL15251807 0.74 MMP2 (0.70) MEN1KMT2AMMP9MMP2ALDH1A1
SCHEMBL6561338 0.74 MMP2 (0.70) MEN1KMT2AMMP9MMP2ALDH1A1

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
EP-1254901-A1 NITROGEN-CONTAINING 5-MEMBERED CYCLIC COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2002-11-06 EP claimed