SCHEMBL11523904

SCHEMBL11523904

Nc1cnc(S(=O)(=O)c2ccccc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
HTR6 P50406 2/20 0.46
FEN1 P39748 2/20 0.45
ALOX5AP P20292 1/20 0.45
KDM4E B2RXH2 1/20 0.43
AKR1B1 P15121 1/20 0.42
HTT P42858 2/20 0.41
LOXL2 Q9Y4K0 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PIK3CA P42336 2/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
NAMPT P43490 1/20 0.40
GRM5 P41594 2/20 0.39
FFAR2 O15552 1/20 0.39

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
SCHEMBL11370935 0.78 HTT (0.49) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL11480360 0.76 KDM4E (0.58) HTR6KDM4ELMNANAMPT
SCHEMBL10834173 0.73 AGTR1 (0.65) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL13506044 0.72 HTR6 (0.48) AGTR1HTR6KDM4EAKR1B1SMN1; SMN2
SCHEMBL27869139 0.70 HTR6 (0.46) AGTR1HTR6KDM4EAKR1B1SMN1; SMN2
SCHEMBL27767382 0.70 HTT (0.76) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL3377180 0.70 PKM (0.59) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL29277557 0.70 AGTR1 (0.49) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL6943431 0.70 CYP11B1 (0.57) AGTR1HTR6KDM4EAKR1B1HTT
SCHEMBL4653156 0.70 AGTR1 (0.57) AGTR1HTR6KDM4EAKR1B1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160834-A INSECTICIDES ELI LILLY AND COMPANY (US) 1979-07-10 US disclosed
US-4083977-A Novel insecticidal 1-(substituted benzoyl)-3-(substituted pyrazinyl)ureas ELI LILLY AND COMPANY (US) 1978-04-11 US disclosed