SCHEMBL20140446

SCHEMBL20140446

CC(C)(C)N(CCn1ncc(-c2ccccc2)c1CCl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LPAR1 Q92633 2/20 0.32
GSTO1 P78417 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GPR119 Q8TDV5 3/20 0.32
AGTR1 P30556 1/20 0.31

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
SCHEMBL20140430 0.92 PTGIR (0.43) PTGIRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20140105 0.74 CKS1B (0.44) PTGIRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL18783623 0.67 MEN1 (0.60) NPC1RAB9AMEN1KMT2A
SCHEMBL11491087 0.66 PTGIR (0.79) PTGIRSMN1; SMN2KMT2ALMNA
SCHEMBL20140432 0.65 CKS1B (0.45) PTGIRSMN1; SMN2
SCHEMBL20140448 0.65 PTGIR (0.38) PTGIRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL10433136 0.64 KDM5B (0.39) SMN1; SMN2L3MBTL1
SCHEMBL17044822 0.64 LMNA (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27996913 0.64 PTGIR (0.49) PTGIRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL10359075 0.63 MEN1 (0.64) PTGIRSMN1; SMN2MEN1KMT2A

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed