SCHEMBL8945165

SCHEMBL8945165

CSc1nc2ncccc2c2nnc(SCc3ccccc3)n12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 1/20 0.41
LMNA P02545 3/20 0.40
SIRT2 Q8IXJ6 3/20 0.39
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
PDE10A Q9Y233 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
SCHEMBL8945250 0.77 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1LMNAHPGD
SCHEMBL9536661 0.73 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL9537059 0.71 LMNA (0.47) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL9535707 0.69 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL9536889 0.68 LMNA (0.44) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL9534491 0.68 LMNA (0.44) RAB9ANPC1ALDH1A1TP53LMNA
SCHEMBL9535561 0.68 LMNA (0.44) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL8945529 0.66 ALDH1A1 (0.47) RAB9ANPC1ALDH1A1TP53LMNA
SCHEMBL21589433 0.64 PIK3C2A (0.61) ALDH1A1LMNAPDE4APDE4BPDE4C
SCHEMBL4203830 0.63 LMNA (0.60) RAB9ANPC1ALDH1A1LMNAKDM4E

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-5494887-A Ring annulated 5-alkoxy-n-aryl[1,2,4]triazolo[1,5-C]-pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1996-02-27 US disclosed