SCHEMBL20157353

SCHEMBL20157353

C=C(N)c1ccccc1N1CCN(Cc2cc(C(=O)N3CCN(c4ccccc4C)CC3)c(C)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MYC P01106 2/20 0.46
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
SLC6A5 Q9Y345 1/20 0.43
GRIN2B Q13224 1/20 0.43
HTR7 P34969 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 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) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20157078 0.83 MYC (0.47) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20157273 0.82 MEN1 (0.47) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20156914 0.82 MYC (0.46) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20141582 0.82 MTOR (0.53) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20140439 0.82 MTOR (0.53) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20157035 0.82 NPC1 (0.46) MEN1KMT2AMYCALDH1A1KDM4E
SCHEMBL20157198 0.81 MTOR (0.51) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL20140200 0.80 MTOR (0.59) MEN1KMT2AALDH1A1KDM4E
SCHEMBL20157037 0.79 SLC6A7 (0.52) MEN1KMT2AMYCKDM4EHPGD

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