SCHEMBL16493552

SCHEMBL16493552

COc1ccc(C2CCN(S(=O)(=O)CC(C#Cc3ccccc3)C(N)=O)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.46
USP5 P45974 1/20 0.44
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ORAI1 Q96D31 1/20 0.40
SIGMAR1 Q99720 2/20 0.40
OPRM1 P35372 1/20 0.39
CHRM5 P08912 1/20 0.39
NR3C1 P04150 1/20 0.38
CHRM4 P08173 1/20 0.38
TSHR P16473 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL27713628 0.89 MMP3 (0.43) MMP3USP5HSD11B1ALDH1A1RAB9A
SCHEMBL2156536 0.89 MMP3 (0.51) MMP3USP5HSD11B1POLBMAPT
SCHEMBL27693768 0.85 MAPT (0.47) POLBMAPTALDH1A1LMNASIGMAR1
SCHEMBL2155627 0.84 MMP3 (0.48) MMP3USP5HSD11B1POLBMAPT
SCHEMBL27693729 0.81 DRD2 (0.41) MMP3USP5POLBMAPTALDH1A1
SCHEMBL2156531 0.81 MMP3 (0.41) MMP3USP5HSD11B1POLBMAPT
SCHEMBL16493551 0.80 MMP3 (0.43) MMP3USP5HSD11B1POLBMAPT
SCHEMBL27693734 0.79 KMT2A (0.44) MAPTALDH1A1
SCHEMBL2154896 0.78 MMP3 (0.48) MMP3USP5ALDH1A1RAB9AKDM4E
SCHEMBL16493563 0.77 MMP3 (0.46) MMP3USP5HSD11B1POLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN claimed
EP-1828160-B1 SULFONYL AMINO CYCLIC DERIVATIVES AND USE THEREOF AS MMP INHIBITORS MERCK SERONO SA (CH) 2011-12-14 EP disclosed
CN-101124213-A Sulfonylamino cyclic derivatives and uses thereof SERONO LAB (CH) 2008-02-13 CN disclosed