SCHEMBL20156899

SCHEMBL20156899

C=C/N=C(\C(=C)C)N1CCN(Cc2ccc(C)c(C(=O)N3CCN(C(=C)/N=C(/C#N)C=C)CC3)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PARP1 P09874 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL20157346 0.84 HTT (0.38) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20156901 0.81 HTT (0.41) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20156905 0.77 HTT (0.42) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20157328 0.76 HTT (0.40) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20157036 0.74 HTT (0.43) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20157029 0.72 ALDH1A1 (0.40) KDM4EALDH1A1HTTTSHRSMN1; SMN2
SCHEMBL20157027 0.69 HTT (0.38) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL20157210 0.69 KDM4E (0.43) KDM4EALDH1A1HTTMEN1KMT2A
SCHEMBL20157025 0.68 MEN1 (0.34) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL20140044 0.66 MTOR (0.54) KDM4EALDH1A1HTTMEN1KMT2A

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