SCHEMBL28320150

SCHEMBL28320150

CC(C)(I)c1cc2cc(C(N)=O)ccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.43
LCK P06239 2/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
BRCA1 P38398 1/20 0.40
CASP7 P55210 1/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36

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
SCHEMBL28320126 0.86 TP53 (0.47) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL28320143 0.85 F2 (0.38) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL19506986 0.76 APP (0.48) APPLCKKDM4ESMN1; SMN2HSD17B10
SCHEMBL12640272 0.75 ALDH1A1 (0.41) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL28247225 0.74 LCK (0.52) APPLCKKDM4ESMN1; SMN2HSD17B10
SCHEMBL977779 0.73 TP53 (0.49) KDM4ESMN1; SMN2
SCHEMBL979646 0.72 TP53 (0.48) KDM4ELMNA
SCHEMBL28048484 0.72 MAPT (0.42) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL21297072 0.72 HDAC6 (0.38) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL17182493 0.71 ALDH1A1 (0.56) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA

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
CN-106478619-B A kind of xanthine oxidase inhibitor and its application 江苏新元素医药科技有限公司 2019-09-24 CN disclosed