SCHEMBL20157273

SCHEMBL20157273

CNCc1ccccc1N1CCN(C(=O)c2cc(CN3CCN(c4ccccc4C)CC3)c(C)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MYC P01106 1/20 0.46
HTR7 P34969 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
AKR1C3 P42330 1/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL20157082 0.91 MYC (0.54) MEN1KMT2AMYCHTR7ALDH1A1
SCHEMBL20157078 0.83 MYC (0.47) MEN1KMT2AMYCHTR7ALDH1A1
SCHEMBL20156914 0.82 MYC (0.46) MEN1KMT2AMYCHTR7ALDH1A1
SCHEMBL20156918 0.82 MTOR (0.55) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157353 0.82 MEN1 (0.47) MEN1KMT2AMYCHTR7ALDH1A1
SCHEMBL20140200 0.82 MTOR (0.59) MEN1KMT2AALDH1A1KDM4E
SCHEMBL20157035 0.82 NPC1 (0.46) MEN1KMT2AMYCHTR7ALDH1A1
SCHEMBL20157037 0.79 SLC6A7 (0.52) MEN1KMT2AMYCKDM4E
SCHEMBL20140365 0.79 MTOR (0.59) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL20139962 0.78 MTOR (0.55) ALDH1A1KDM4E

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