SCHEMBL20141716

SCHEMBL20141716

CCOC(=O)c1cc(-c2ccccc2)nn1CCNC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.60
POLB P06746 2/20 0.60
TDP1 Q9NUW8 3/20 0.54
MAPT P10636 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 4/20 0.49
BRD9 Q9H8M2 1/20 0.45
FAAH O00519 3/20 0.44
CFTR P13569 1/20 0.44
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43

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
SCHEMBL4716286 0.91 SMN1; SMN2 (0.48) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL1314087 0.91 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL16699599 0.89 SMN1; SMN2 (0.48) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL18187532 0.87 ALDH1A1 (0.45) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL4712694 0.85 SMN1; SMN2 (0.45) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL16682690 0.85 DRD2 (0.47) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL16682537 0.85 SMN1; SMN2 (0.46) SMN1; SMN2POLBTDP1MAPTRAB9A
SCHEMBL4760588 0.84 SMN1; SMN2 (0.47) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL16682532 0.84 SMN1; SMN2 (0.41) SMN1; SMN2POLBTDP1MAPTL3MBTL1
SCHEMBL4714499 0.84 MAPT (0.57) SMN1; SMN2POLBTDP1MAPTL3MBTL1

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