SCHEMBL13626616

SCHEMBL13626616

Cc1ccccc1NC(=O)c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.75
HIF1A Q16665 5/20 0.70
EPAS1 Q99814 5/20 0.70
SMN1; SMN2 Q16637 5/20 0.69
LMNA P02545 3/20 0.69
MAPT P10636 3/20 0.69
MAPK1 P28482 3/20 0.69
GALR3 O60755 1/20 0.69
TSHR P16473 2/20 0.67
HTT P42858 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HDAC1 Q13547 1/20 0.63
NPC1 O15118 3/20 0.61
ALDH1A1 P00352 1/20 0.61
STAT3 P40763 1/20 0.60

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
SCHEMBL13626627 0.89 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNAMAPTMAPK1
SCHEMBL13626450 0.88 SMN1; SMN2 (0.70) RAB9ASMN1; SMN2LMNAMAPTMAPK1
SCHEMBL12674139 0.87 RAB9A (0.73) RAB9AHIF1AEPAS1SMN1; SMN2LMNA
SCHEMBL13626446 0.86 SMN1; SMN2 (0.71) RAB9ASMN1; SMN2LMNAMAPTTSHR
SCHEMBL30530297 0.86 SMN1; SMN2 (0.64) RAB9AHIF1AEPAS1SMN1; SMN2LMNA
SCHEMBL12273973 0.86 SMN1; SMN2 (0.64) RAB9AHIF1AEPAS1SMN1; SMN2LMNA
SCHEMBL3558274 0.85 HDAC1 (0.71) RAB9AHIF1AEPAS1MAPTTSHR
SCHEMBL12666637 0.85 RAB9A (0.71) RAB9AHIF1AEPAS1SMN1; SMN2LMNA
SCHEMBL8710661 0.85 RAB9A (0.71) RAB9AHIF1AEPAS1SMN1; SMN2LMNA
SCHEMBL21657710 0.82 HIF1A (1.00) RAB9AHIF1AEPAS1SMN1; SMN2LMNA

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-2009138440-A1 CARBAMOYL DERIVATIVES OF BICYCLIC CARBONYLAMINO-PYRAZOLES AS PRODRUGS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2009-11-19 WO disclosed