SCHEMBL20157540

SCHEMBL20157540

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GRIN2B Q13224 3/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
TXK P42681 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL20157307 0.84 PLA2G1B (0.38) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157298 0.84 PLA2G1B (0.38) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157000 0.78 MEN1 (0.41) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157223 0.77 GRIN2B (0.39) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157338 0.76 POLB (0.33) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157195 0.75 GRIN2B (0.39) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157312 0.74 GRIN2B (0.33) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157250 0.73 GRIN2B (0.32) PLA2G1BPOLBATG4BMEN1KMT2A
SCHEMBL20157210 0.69 KDM4E (0.43) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL20157541 0.69 CYP1A2 (0.30) PLA2G1BPOLBATG4B

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