SCHEMBL20157223

SCHEMBL20157223

C=C/C=C(\C)N1CCN(Cc2cc(C(=O)N3CCC(C(=C)N)(c4ccccc4)CC3)c(C)cc2C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.39
KMT2A Q03164 3/20 0.39
TET3 O43151 1/20 0.39
FBXL19 Q6PCT2 1/20 0.39
CXXC5 Q7LFL8 1/20 0.39
TET1 Q8NFU7 1/20 0.39
KDM2B Q8NHM5 1/20 0.39
CXXC4 Q9H2H0 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL20157222 0.87 GRIN2B (0.38) GRIN2BKMT2ATET3FBXL19CXXC5
SCHEMBL20157540 0.77 PLA2G1B (0.38) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157307 0.77 PLA2G1B (0.38) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157298 0.77 PLA2G1B (0.38) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20140799 0.75 MTOR (0.49) ALDH1A1KDM4ECNR1LMNA
SCHEMBL20157000 0.72 MEN1 (0.41) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157353 0.70 MEN1 (0.47) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157210 0.70 KDM4E (0.43) KMT2AALDH1A1KDM4EMEN1HTT
SCHEMBL20157338 0.70 POLB (0.33) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL20157195 0.69 GRIN2B (0.39) GRIN2BKMT2AALDH1A1KDM4ESMN1; SMN2

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