SCHEMBL20141007

SCHEMBL20141007

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cn3)CC2)cc1C=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.48
POLB P06746 1/20 0.46
GPR119 Q8TDV5 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPARG P37231 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMO Q99835 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL20141892 0.82 PKM (0.47) PKMPOLBGPR119L3MBTL1KDM4E
SCHEMBL20139858 0.82 PKM (0.47) PKMPOLBGPR119L3MBTL1KDM4E
SCHEMBL20140581 0.76 KDM4E (0.52) KDM4ELMNASMN1; SMN2ALDH1A1PPARG
SCHEMBL20140074 0.72 MAPT (0.50) POLBGPR119L3MBTL1KDM4ELMNA
SCHEMBL20141897 0.72 HTT (0.47) PKMPOLBKDM4EGAAALDH1A1
SCHEMBL20139969 0.71 MTOR (0.49) KDM4ELMNASMN1; SMN2GAARAB9A
SCHEMBL20139954 0.70 POLB (0.45) PKMPOLBL3MBTL1KDM4ELMNA
SCHEMBL20157096 0.69 GRM1 (0.53)
SCHEMBL20157095 0.69 GRM1 (0.53)
SCHEMBL20140053 0.69 GRM1 (0.53)

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed