SCHEMBL10063274

SCHEMBL10063274

CCc1[nH]c2ccc(CC(C)(C)C)cc2c(=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 3/20 0.39
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
DHODH Q02127 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
P2RX3 P56373 1/20 0.35

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
SCHEMBL2720917 0.80 GHSR (0.47) SMN1; SMN2HSD17B10CYP2D6GABRA1
SCHEMBL10063205 0.80 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL10063269 0.77 KDM4E (0.51) SMN1; SMN2KDM4EALDH1A1HSD17B10GABRA1
SCHEMBL10063705 0.77 SIRT1 (0.54) SMN1; SMN2NPC1ALDH1A1RAB9AHSD17B10
SCHEMBL23786255 0.75 MEN1 (0.58) SMN1; SMN2KDM4ENPC1ALDH1A1HTT
SCHEMBL26171264 0.75 KDM4E (0.48) KDM4EALDH1A1HSD17B10GABRA1GABRB2
SCHEMBL10063356 0.74 KDM4E (0.47) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL11955040 0.74 ALDH1A1 (0.46) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL20274465 0.72 HTT (0.60) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A
SCHEMBL21025331 0.72 CA12 (0.46) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A

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-1364951-B1 Triazoquinolone derivatives as pest controllers MEIJI SEIKA PHARMA CO LTD (JP) 2012-05-02 EP disclosed