SCHEMBL8883100

SCHEMBL8883100

COc1ccnc(Cl)c1NS(=O)(=O)c1nc2cc(C)nc(OC)n2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8881335 0.94 TSHR (0.37) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL8890841 0.92 TSHR (0.35) TSHRPSEN1PSEN2APH1BNCSTN
SCHEMBL8881103 0.89 HTT (0.35) TSHRKDM4EALDH1A1HTTCCR4
SCHEMBL8883188 0.85 NPSR1 (0.34) TSHRPOLBSMN1; SMN2HTTCCR4
SCHEMBL8882800 0.84 TSHR (0.32) TSHR
SCHEMBL7851095 0.82 TSHR (0.36) TSHRRAB9ACCR4SLC40A1
SCHEMBL8882454 0.79 ALPL (0.36) TSHRPOLBGAAHPGDMAPK1
SCHEMBL7853356 0.78 TSHR (0.38) TSHRKDM4EALDH1A1POLBGAA
SCHEMBL7854314 0.78 SLC40A1 (0.36) TSHRALDH1A1SMN1; SMN2HSD17B10CCR4
SCHEMBL7848833 0.77 SLC40A1 (0.35) TSHRALDH1A1SMN1; SMN2HSD17B10CCR4

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
US-5614469-A N-pyridinyl[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide herbicides DOWELANCO (US) 1997-03-25 US disclosed
EP-0717745-A1 N-PYRIDINYL 1,2,4]TRIAZOLO 1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-06-26 EP disclosed
WO-1996001828-A1 N-PYRIDINYL[1,2,4]TRIAZOLO[1,5-C]PYRIMIDINE-2-SULFONAMIDE HERBICIDES DOWELANCO (US) 1996-01-25 WO disclosed
US-5461161-A Chemical intermediate is 3-amino-2-hal pyridine DOWELANCO (US) 1995-10-24 US disclosed