SCHEMBL20157078

SCHEMBL20157078

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C)CC2)cc1CN1CCN(c2ccccc2C=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR7 P34969 1/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ATM Q13315 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
GRIN2B Q13224 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 0.92 MYC (0.54) MYCMEN1KMT2AHTR7KDM4E
SCHEMBL20156914 0.91 MYC (0.46) MYCMEN1KMT2AHTR7KDM4E
SCHEMBL20157034 0.89 NPC1 (0.42) MYCMEN1KMT2AKDM4EALDH1A1
SCHEMBL20156911 0.86 KDM4E (0.55) MYCMEN1KMT2AKDM4ECYP2C9
SCHEMBL20157349 0.85 NPC1 (0.41) MEN1KMT2AALDH1A1NPSR1SMN1; SMN2
SCHEMBL20157273 0.83 MEN1 (0.47) MYCMEN1KMT2AHTR7KDM4E
SCHEMBL20157353 0.83 MEN1 (0.47) MYCMEN1KMT2AHTR7KDM4E
SCHEMBL20157303 0.83 MTOR (0.42) MYCMEN1KMT2AKDM4ECYP2C9
SCHEMBL20157035 0.82 NPC1 (0.46) MYCMEN1KMT2AHTR7KDM4E
SCHEMBL20140200 0.81 MTOR (0.59) MEN1KMT2AKDM4EALDH1A1

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