SCHEMBL20141897

SCHEMBL20141897

Cc1cc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PPARG P37231 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
POLB P06746 1/20 0.40
TNK1 Q13470 1/20 0.40
RET P07949 6/20 0.39
TRPC5 Q9UL62 1/20 0.39
PKM P14618 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
SCHEMBL20140839 0.88 POLB (0.46) HTTKDM4EALDH1A1POLBPKM
SCHEMBL20140016 0.83 HSD11B1 (0.55) HTTKDM4EALDH1A1TDP1PARP1
SCHEMBL20139969 0.83 MTOR (0.49) HTTGAATSHRKDM4EALDH1A1
SCHEMBL20156964 0.82 MTOR (0.49) HTTKDM4EPPARGPARP1RET
SCHEMBL20157265 0.82 RET (0.40) PPARGPARP1PARP2TNK1RET
SCHEMBL20139878 0.80 PRKAA2 (0.43) ALDH1A1PPARGRET
SCHEMBL20141707 0.79 MTOR (0.47) KDM4EPPARGPARP1
SCHEMBL20139858 0.78 PKM (0.47) GAAKDM4EALDH1A1PPARGPARP1
SCHEMBL20157478 0.77 DRD4 (0.45) HTTKDM4EALDH1A1
SCHEMBL20140521 0.77 ALDH1A1 (0.44) HTTTSHRKDM4EALDH1A1POLB

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