SCHEMBL18152573

SCHEMBL18152573

COc1ccc2[nH]n(C)c(=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP3 P08254 1/20 0.54
MMP9 P14780 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
ADAM9 Q13443 1/20 0.54
ALOX5 P09917 1/20 0.53
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 4/20 0.52
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TSHR P16473 1/20 0.52
GFER P55789 1/20 0.52
HPGD P15428 5/20 0.49
GAA P10253 3/20 0.48
ABCG2 Q9UNQ0 1/20 0.47

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
SCHEMBL17559115 0.81 KDM4E (0.56) ALOX5ALDH1A1KDM4EMEN1MAPT
SCHEMBL17559152 0.81 KDM4E (0.56) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL28342517 0.78 GABRA1 (0.62) ADAM17MMP1MMP2MMP3MMP9
SCHEMBL9923022 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL8213257 0.77 ALOX5 (0.58) ALOX5ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6406367 0.72 GAA (0.74) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL18152286 0.71 ALOX5 (0.51) ALOX5KDM4EMEN1KMT2AL3MBTL1
SCHEMBL2671424 0.71 ALOX5 (0.51) ALOX5ALDH1A1KDM4EMAPTKMT2A
SCHEMBL26767757 0.71 MAPT (0.51) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL12285521 0.71 ABCG2 (0.83) ALDH1A1KDM4EMEN1MAPTKMT2A

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-3294726-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-21 EP claimed
WO-2016168633-A1 INDAZOLONES AS MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO claimed