SCHEMBL13286707

SCHEMBL13286707

C/C(=N\Nc1nncc2ccccc12)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.62
RAB9A P51151 10/20 0.62
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
GAA P10253 3/20 0.60
EGFR P00533 5/20 0.55
KDR P35968 5/20 0.55
MAPT P10636 3/20 0.55
MPO P05164 2/20 0.55
MAPK1 P28482 1/20 0.55
TP53 P04637 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
KDM4E B2RXH2 2/20 0.50
CYP3A4 P08684 2/20 0.50
GOT1 P17174 2/20 0.50
PKM P14618 2/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL13286648 0.85 NPC1 (0.68) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286683 0.84 NPC1 (0.59) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286673 0.84 NPC1 (0.54) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286710 0.83 EGFR (0.59) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286661 0.83 RAB9A (0.82) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286743 0.83 NPC1 (0.55) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286748 0.82 MPO (0.54) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286675 0.81 NPC1 (0.51) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286746 0.80 MPO (0.52) NPC1RAB9AKMT2AMEN1GAA
SCHEMBL13286677 0.80 MPO (0.52) NPC1RAB9AKMT2AMEN1GAA

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
US-7728133-B2 Stable pharmaceutical compositions B&G PARTNERS LLC 2010-06-01 US disclosed