SCHEMBL20140473

SCHEMBL20140473

COc1ccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2Cl)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
PRKAA2 P54646 1/20 0.51
F10 P00742 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.47
CYP2D6 P10635 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL20159112 0.81 MTOR (0.58) KDM4EALDH1A1PRKAA2
SCHEMBL20140681 0.75 ALDH1A1 (0.52) KDM4EALDH1A1MEN1KMT2AHTT
SCHEMBL20140541 0.74 MTOR (0.46) ALDH1A1PRKAA2NPC1
SCHEMBL20156964 0.72 MTOR (0.49) KDM4EPRKAA2SMN1; SMN2HTTLMNA
SCHEMBL20157415 0.71 PPARG (0.42) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL20159153 0.70 MTOR (0.61) PRKAA2
SCHEMBL20156970 0.70 PRKAA2 (0.47) MEN1KMT2APRKAA2
SCHEMBL20159019 0.70 MTOR (0.59) KDM4EALDH1A1MEN1KMT2A
SCHEMBL20140010 0.70 MTOR (0.44) PRKAA2
SCHEMBL20140388 0.70 MTOR (0.47)

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed