SCHEMBL13626445

SCHEMBL13626445

Cc1ccccc1NC(=O)c1ccn(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.63
POLB P06746 2/20 0.63
HTT P42858 2/20 0.54
KDM4C Q9H3R0 1/20 0.54
NPC1 O15118 5/20 0.54
RAB9A P51151 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 3/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
GAA P10253 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 1/20 0.48

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
SCHEMBL12666624 0.81 ALDH1A1 (0.43) HPGDPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9055150 0.79 HPGD (0.89) HPGDPOLBHTTKDM4CNPC1
SCHEMBL28137996 0.79 PTPN1 (0.53) HPGDPOLBHTTNPC1RAB9A
SCHEMBL2908808 0.78 HPGD (0.79) HPGDPOLBHTTKDM4CNPC1
N-O-Tolylbenzamide SCHEMBL3223289 0.78 HPGD (1.00) HPGDPOLBHTTKDM4CNPC1
SCHEMBL9979656 0.76 HPGD (0.59) HPGDPOLBHTTKDM4CNPC1
SCHEMBL3690383 0.75 POLB (0.79) HPGDPOLBHTTKDM4CNPC1
SCHEMBL934859 0.74 HTT (0.71) HPGDPOLBHTTKDM4CNPC1
SCHEMBL6859613 0.73 HPGD (0.77) HPGDPOLBHTTKDM4CNPC1
SCHEMBL2732354 0.73 HPGD (0.77) HPGDPOLBHTTKDM4CNPC1

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