SCHEMBL9537059

SCHEMBL9537059

CSc1nccc2nnc(SCc3ccccc3)n12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALOX15B O15296 1/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 2/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9535707 0.78 ALDH1A1 (0.48) LMNAL3MBTL1CYP3A4CYP2C9RAB9A
SCHEMBL9535561 0.77 LMNA (0.44) LMNAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL9536889 0.77 LMNA (0.44) LMNAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL9534491 0.77 LMNA (0.44) LMNAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL9536661 0.75 ALDH1A1 (0.44) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL11779182 0.71 THRB (0.67) LMNAL3MBTL1GAARAB9ANPC1
SCHEMBL8945165 0.71 RAB9A (0.41) LMNAL3MBTL1RAB9ANPC1ALDH1A1
SCHEMBL8111879 0.69 MAPT (0.43) LMNAL3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL8945250 0.66 ALDH1A1 (0.50) LMNAL3MBTL1CYP1A2CYP2C9CYP2C19
SCHEMBL4203830 0.66 LMNA (0.60) LMNACYP1A2CYP3A4CYP2D6CYP2C9

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
US-5010195-A From 5-alkoxy-1,2,4-triazolo(1,5-c)pyrimidine THE DOW CHEMICAL COMPANY (US) 1991-04-23 US 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