SCHEMBL3455546

SCHEMBL3455546

Cc1nc(-c2c(-c3ccccc3)cc[nH]c2=O)sc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
RAB9A P51151 6/20 0.49
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 6/20 0.47
NPC1 O15118 4/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 4/20 0.45
XDH P47989 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 1/20 0.40

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
SCHEMBL3454511 0.87 CDC7 (0.52) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3454811 0.84 SCD (0.56) SMN1; SMN2GAAALDH1A1NPC1HPGD
SCHEMBL3454096 0.82 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3454854 0.79 SMN1; SMN2 (0.48) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3455438 0.78 PPARD (0.54) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL3454195 0.78 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL1327631 0.77 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL289112 0.74 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL3454331 0.72 SMN1; SMN2 (0.41) SMN1; SMN2RAB9AKDM4EGAAKMT2A
SCHEMBL289371 0.72 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AKDM4EGAAKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO claimed
WO-2007143597-A9 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-11-11 WO disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed