SCHEMBL8473452

SCHEMBL8473452

CC(=O)Nc1cnc2sc(C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.55
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
TNNI3 P19429 1/20 0.44
TNNT2 P45379 1/20 0.44
TNNC1 P63316 1/20 0.44
RUNX1 Q01196 1/20 0.44
CBFB Q13951 1/20 0.44
KIT P10721 1/20 0.43
PABPC1 P11940 1/20 0.42
DYRK1A Q13627 7/20 0.41
ALDH1A1 P00352 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL21646465 0.79 SMN1; SMN2 (0.38) LDHANPC1RAB9AKDM4EMAPT
SCHEMBL21606987 0.76 NPC1 (0.45) LDHANPC1RAB9AMAPTMEN1
SCHEMBL25124538 0.75 POLB (0.39) LDHANPC1RAB9AKDM4EMAPT
SCHEMBL22642823 0.74 MALT1 (0.67)
SCHEMBL4011536 0.74 LDHA (0.78) LDHANPC1RAB9AKDM4EMAPT
SCHEMBL13544132 0.73 KIT (0.40) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL19823786 0.72 MALT1 (0.42) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL454246 0.72 AGER (0.44) LDHANPC1RAB9AKDM4EMAPT
SCHEMBL7921134 0.71 SMN1; SMN2 (0.43) NPC1RAB9AKDM4EMAPTALDH1A1
SCHEMBL3923955 0.71 LDHA (1.00) LDHANPC1RAB9AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869659-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-02-09 US disclosed
EP-0785201-A1 Heterodatom containing cyclopentanopyridyl-Oxazolidinones BAYER AG (DE) 1997-07-23 EP disclosed