SCHEMBL9535707

SCHEMBL9535707

CSc1nc(C)cc2nnc(SCc3ccccc3)n12

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 4/20 0.48
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
ALOX15 P16050 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL9536889 0.86 LMNA (0.44) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL9534491 0.86 LMNA (0.44) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL9535561 0.86 LMNA (0.44) ALDH1A1LMNAATMKDM4ENPC1
SCHEMBL9537059 0.78 LMNA (0.47) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL11003417 0.72 NPC1 (0.49) ALDH1A1LMNAKDM4ENPC1MAPT
SCHEMBL10845465 0.71 LMNA (0.51) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL11779182 0.70 THRB (0.67) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL10646511 0.69 ALDH1A1 (0.43) ALDH1A1LMNAKDM4ENPC1KMT2A
SCHEMBL8945250 0.69 ALDH1A1 (0.50) ALDH1A1LMNAKDM4ENPC1MEN1
SCHEMBL8945165 0.69 RAB9A (0.41) ALDH1A1LMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0343752-B1 Alkoxy-1,2,4-triazolo (1,5-c) pyrimidine-2-sulfonamides, process for their preparation and intermediates DOWELANCO (US) 1993-12-01 EP disclosed
WO-1989011782-A1 ALKOXY-1,2,4-TRIAZOLO[1,5-c]PYRIMIDINE-2-SULFONAMIDES, PROCESS FOR THEIR PREPARATION AND INTERMEDIATES THE DOW CHEMICAL COMPANY (US) 1989-12-14 WO disclosed
EP-0343752-A1 Alkoxy-1,2,4-triazolo (1,5-c) pyrimidine-2-sulfonamides, process for their preparation and intermediates DowElanco (US) 1989-11-29 EP disclosed