SCHEMBL9536004

SCHEMBL9536004

COc1nccc2nc(SCc3ccccc3)nn12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
CKS1B P61024 3/20 0.45
SKP2 Q13309 3/20 0.45
KDM1A O60341 2/20 0.43
METAP2 P50579 1/20 0.42
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL9642109 0.89 HSD17B10 (0.48) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9535777 0.81 ALDH1A1 (0.54) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9534926 0.81 ALDH1A1 (0.63) ALDH1A1RAB9ANPC1CKS1BSKP2
SCHEMBL9538648 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9642748 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9642787 0.79 ALDH1A1 (0.52) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9642141 0.78 ALDH1A1 (0.50) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9642664 0.78 ALDH1A1 (0.53) ALDH1A1HSD17B10RAB9ANPC1CKS1B
SCHEMBL9640941 0.77 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1CKS1BSKP2
SCHEMBL9640970 0.77 ALDH1A1 (0.49) ALDH1A1HSD17B10RAB9ANPC1CKS1B

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 4 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-5163995-A For use with grassy crops and soybeans DOWELANCO (US) 1992-11-17 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
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