SCHEMBL20142823

SCHEMBL20142823

Cc1ccc(CN2CCN(c3ccncc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.48
CACNA1G O43497 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MTOR P42345 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
HSP90AA1 P07900 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
NPC1 O15118 1/20 0.44
HTR7 P34969 1/20 0.44

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
SCHEMBL20142392 0.78 P2RX7 (0.51) MTORRPTORMLST8HTR7
SCHEMBL20139930 0.77 MTOR (0.53) ALDH1A1MEN1KMT2AHTTUSP2
SCHEMBL20141948 0.77 SMN1; SMN2 (0.51) ALDH1A1MEN1KMT2AHTTTSHR
SCHEMBL20156931 0.77 MTOR (0.51) ALDH1A1USP2TSHRMTORRPTOR
SCHEMBL20141688 0.76 MTOR (0.48) KMT2AHTTMTORRPTORMLST8
SCHEMBL20142241 0.75 MTOR (0.61) ALDH1A1MEN1KMT2AHTTUSP2
SCHEMBL20140202 0.75 HTR7 (0.55) ALDH1A1KDM4EHTR7
SCHEMBL20140044 0.75 MTOR (0.54) ALDH1A1MEN1KMT2AHTTMTOR
SCHEMBL20140664 0.74 MTOR (0.57) ALDH1A1HTTMTORRPTORMLST8
SCHEMBL20140587 0.74 MTOR (0.54) ALDH1A1HTTUSP2MTORRPTOR

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