SCHEMBL17525142

SCHEMBL17525142

NCc1cnc(CC(N)=O)s1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.35
ERCC5 P28715 1/20 0.35
FEN1 P39748 1/20 0.35
LOXL2 Q9Y4K0 10/20 0.34
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LOX P28300 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CYP2A6 P11509 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL21359095 0.84 F2 (0.42) F2SMN1; SMN2ERCC5FEN1LMNA
SCHEMBL28156288 0.77 LMNA (0.49) SMN1; SMN2ERCC5FEN1LMNAALDH1A1
SCHEMBL18381559 0.76
SCHEMBL29677851 0.76 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HTT
SCHEMBL4000697 0.76 F2 (0.44) F2SMN1; SMN2ERCC5FEN1ALDH1A1
SCHEMBL18571382 0.75 HDAC6 (0.42) LOXL2
SCHEMBL5875847 0.75 LOXL2 (0.36) SMN1; SMN2LOXL2LOXPSEN1PSEN2
SCHEMBL21408966 0.74 CYP1A2 (0.41) SMN1; SMN2LOXL2LOX
SCHEMBL22323374 0.73 F2 (0.42) F2SMN1; SMN2ERCC5FEN1LMNA
SCHEMBL18381918 0.72

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-2016020295-A1 OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES NUEVOLUTION A/S (DK) 2016-02-11 WO disclosed