SCHEMBL20139858

SCHEMBL20139858

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CO

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.47
POLB P06746 2/20 0.45
SMO Q99835 2/20 0.44
PPARG P37231 1/20 0.44
DCTPP1 Q9H773 3/20 0.44
PARP1 P09874 2/20 0.43
GPR119 Q8TDV5 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40

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 0.83 PKM (0.47) PKMPOLBSMOPPARGDCTPP1
SCHEMBL20141007 0.82 PKM (0.48) PKMPOLBSMOPPARGGPR119
SCHEMBL20141897 0.78 HTT (0.47) PKMPOLBPPARGPARP1KDM4E
SCHEMBL20139969 0.72 MTOR (0.49) PARP1KDM4ELMNASMN1; SMN2GAA
SCHEMBL20140521 0.71 ALDH1A1 (0.44) PKMPOLBL3MBTL1KDM4ELMNA
SCHEMBL4728850 0.68 PKM (0.56) PKMPOLBMAPTALDH1A1
SCHEMBL14261619 0.68 PKM (0.56) PKMPOLBMAPTALDH1A1
SCHEMBL14087184 0.66 HDAC3 (0.49) PKMGPR119L3MBTL1KDM4ELMNA
SCHEMBL15857987 0.65 TDO2 (0.56) GPR119L3MBTL1SMN1; SMN2ALDH1A1RAB9A
SCHEMBL20804512 0.65 ALDH1A1 (0.56) PKML3MBTL1KDM4ESMN1; SMN2GAA

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