SCHEMBL9687822

SCHEMBL9687822

CCOc1ccc2c(c1)N(C(C)=O)CC2(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.55
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.40
OGG1 O15527 1/20 0.40
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
ALOX12 P18054 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL10828075 0.89 NOTUM (0.55) NOTUMKDM4EMAPTOGG1TP53
SCHEMBL17771773 0.79 NQO1 (0.39) KDM4EMAPTTP53ALDH1A1TSHR
SCHEMBL9687259 0.77 NOTUM (0.64) NOTUMALDH1A1XIAPBIRC2LMNA
SCHEMBL13733355 0.76 NOTUM (0.55) NOTUMKDM4EALDH1A1XIAPBIRC2
SCHEMBL17446878 0.76 NOTUM (0.62) NOTUMXIAPBIRC2
SCHEMBL395606 0.76 NOTUM (0.62) NOTUMXIAPBIRC2
SCHEMBL31481108 0.76 NOTUM (0.62) NOTUMXIAPBIRC2
SCHEMBL31481087 0.76 NOTUM (0.62) NOTUMXIAPBIRC2
SCHEMBL17447342 0.74 NOTUM (0.60) NOTUMKDM4ETP53ALDH1A1HSD17B10
SCHEMBL1035499 0.73 NOTUM (0.59) NOTUMXIAPBIRC2

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-0511168-A1 Indoline hydrochloride salts and process for their preparation SANDOZ LTD. (CH) 1992-10-28 EP disclosed