SCHEMBL20157027

SCHEMBL20157027

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
HRH3 Q9Y5N1 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
FAAH O00519 1/20 0.37
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
HSP90B1 P14625 1/20 0.36

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
SCHEMBL20157036 0.86 HTT (0.43) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157210 0.83 KDM4E (0.43) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20156905 0.82 HTT (0.42) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157226 0.81 ALDH1A1 (0.34) HTTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL20157062 0.81 FAAH (0.39) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157307 0.79 PLA2G1B (0.38) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20156901 0.78 HTT (0.41) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157337 0.78 FAAH (0.36) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157328 0.76 HTT (0.40) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL20157029 0.75 ALDH1A1 (0.40) HTTALDH1A1KDM4EMEN1KMT2A

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