SCHEMBL20140430

SCHEMBL20140430

CC(C)(C)N(CCn1ncc(-c2ccccc2)c1CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGS2 P35354 2/20 0.33
NFKB1 P19838 3/20 0.32
NFKB2 Q00653 3/20 0.32
RELA Q04206 3/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LPAR1 Q92633 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
HSP90AA1 P07900 1/20 0.32
AGTR1 P30556 1/20 0.32

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
SCHEMBL20140446 0.92 PTGIR (0.44) PTGIRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL20140432 0.73 CKS1B (0.45) PTGIRSMN1; SMN2
SCHEMBL25731618 0.69 CYP11B2 (0.47) PTGIRSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL18783623 0.68 MEN1 (0.60) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL20140105 0.65 CKS1B (0.44) PTGIRSMN1; SMN2MEN1KMT2AHTT
SCHEMBL10433136 0.65 KDM5B (0.39) SMN1; SMN2L3MBTL1TP53GABRG2GABRB3
SCHEMBL17044822 0.65 LMNA (0.49) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL27996913 0.65 PTGIR (0.49) PTGIRSMN1; SMN2NPC1RAB9AMEN1
SCHEMBL30765074 0.64 PSMB1 (0.45) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL11491087 0.64 PTGIR (0.79) PTGIRSMN1; SMN2KMT2ALMNAKMO

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