SCHEMBL16239807

SCHEMBL16239807

CC1(C)CC(c2cccc(NS(=O)(=O)c3ccccc3)c2)Nc2c(C(F)(F)F)cccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 5/20 0.45
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 2/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CCNA1 P78396 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
HTR6 P50406 5/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM1A O60341 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
SCHEMBL16240086 0.93 FFAR4 (0.48) FFAR4FFAR1CDK1CCNB1CCNA2
SCHEMBL16239799 0.93 FFAR4 (0.45) FFAR4GAAFFAR1CDK1CCNB1
SCHEMBL16239667 0.89 KIF11 (0.40) ALDH1A1LMNASMN1; SMN2KDM1A
SCHEMBL16240123 0.88 SLC22A12 (0.43) ALDH1A1SLC22A12
SCHEMBL16239486 0.86 HPGD (0.43) GAAHPGDCA12CA1CA2
SCHEMBL16239526 0.85 GAA (0.42) GAAHPGDCA12CA1CA2
SCHEMBL16239989 0.83 IMPDH2 (0.40) GAAHPGDCA12CA1CA2
SCHEMBL16239649 0.83 KMT2A (0.41) FFAR4GAAHTR6ALDH1A1SMN1; SMN2
SCHEMBL2136176 0.82 PKM (0.46) FFAR4GAAHPGDFFAR1CDK1
SCHEMBL16240075 0.79 L3MBTL1 (0.45) GAAHPGDALDH1A1LMNASMN1; SMN2

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-2630124-B1 TETRAHYDROQUINOLINE DERIVATIVES USED AS AMPK ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-11-19 EP claimed