SCHEMBL20157044

SCHEMBL20157044

C=C(C)/C(=C\C=C/C)N1CCN(Cc2cc(C(=O)N3CCN(/C(=N/C=C\C)C(=C)C)CC3)c(C)cc2C)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.35
PLA2G1B P04054 1/20 0.35
POLB P06746 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
FABP6 P51161 1/20 0.32
NPC1 O15118 1/20 0.31
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
BLM P54132 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL20157045 0.93 GRIN2B (0.34) GRIN2BPLA2G1BPOLBATG4BALDH1A1
SCHEMBL20157195 0.92 GRIN2B (0.39) GRIN2BPLA2G1BPOLBATG4BALDH1A1
SCHEMBL20157312 0.84 GRIN2B (0.33) GRIN2BPLA2G1BPOLBATG4BALDH1A1
SCHEMBL20157222 0.79 GRIN2B (0.38) GRIN2BALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL20157206 0.77 MTOR (0.40) GRIN2BPLA2G1BPOLBATG4BMEN1
SCHEMBL20156902 0.72 ALDH1A1 (0.35) POLBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL20157307 0.71 PLA2G1B (0.38) GRIN2BPLA2G1BPOLBATG4BALDH1A1
SCHEMBL20157298 0.71 PLA2G1B (0.38) GRIN2BPLA2G1BPOLBATG4BALDH1A1
SCHEMBL20157025 0.71 MEN1 (0.34) POLBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL20157000 0.70 MEN1 (0.41) GRIN2BPLA2G1BPOLBATG4BALDH1A1

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