SCHEMBL20157025

SCHEMBL20157025

C=C/C(=N\C(=C/C)C(C)C)N1CCN(C(=O)c2cc(CN3CCN(/C(=C/C=C\C)C(=C)C)CC3)ccc2C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HRH3 Q9Y5N1 4/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
LMNA P02545 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSP90B1 P14625 1/20 0.32
FAAH O00519 1/20 0.32

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
SCHEMBL20156902 0.80 ALDH1A1 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20157195 0.75 GRIN2B (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20157027 0.74 HTT (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1HRH3
SCHEMBL20157044 0.71 GRIN2B (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1HTT
SCHEMBL20157045 0.69 GRIN2B (0.34) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20156905 0.69 HTT (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1HRH3
SCHEMBL20157312 0.68 GRIN2B (0.33) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL20157210 0.68 KDM4E (0.43) MEN1KMT2AALDH1A1HRH3HTT
SCHEMBL20157036 0.68 HTT (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1HRH3
SCHEMBL20156899 0.68 KDM4E (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1HTT

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