SCHEMBL13626443

SCHEMBL13626443

Cc1ccccc1NC(=O)c1ccn(C)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.59
RAB9A P51151 8/20 0.59
SMN1; SMN2 Q16637 6/20 0.59
LMNA P02545 3/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 5/20 0.57
POLB P06746 1/20 0.53
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 1/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KDM4C Q9H3R0 1/20 0.49

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
SCHEMBL1779676 0.84 HDAC1 (0.59) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL26849762 0.83 RAB9A (0.56) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL1779536 0.80 RAB9A (0.66) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL15503805 0.78 RAB9A (0.56) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL31050852 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL28984081 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL29348766 0.75 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNANFKB1
SCHEMBL29531380 0.74 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL12437777 0.74 NPC1 (0.79) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4834485 0.74 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNANFKB1

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