SCHEMBL11370935

SCHEMBL11370935

O=S(=O)(c1ccccc1)c1cnc(Cl)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
AGTR1 P30556 1/20 0.49
HTR6 P50406 1/20 0.46
PKM P14618 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TDP1 Q9NUW8 2/20 0.43
HSD17B10 Q99714 1/20 0.43
AKR1B1 P15121 1/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
CYP2C9 P11712 1/20 0.40
NAMPT P43490 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR2 O15552 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 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
SCHEMBL3377180 0.78 PKM (0.59) HTTSMN1; SMN2AGTR1HTR6PKM
SCHEMBL11523904 0.78 AGTR1 (0.49) HTTSMN1; SMN2AGTR1HTR6KDM4E
SCHEMBL30094555 0.76 ALDH1A1 (0.55) SMN1; SMN2HTR6PKMALDH1A1TDP1
SCHEMBL2568189 0.76 ALDH1A1 (0.55) SMN1; SMN2HTR6PKMALDH1A1TDP1
SCHEMBL10834173 0.73 AGTR1 (0.65) HTTSMN1; SMN2AGTR1HTR6PKM
SCHEMBL27975420 0.73 HTT (0.47) HTTSMN1; SMN2AGTR1HTR6PKM
SCHEMBL11277571 0.73 HTT (0.51) HTTSMN1; SMN2AGTR1HTR6PKM
SCHEMBL13506044 0.72 HTR6 (0.48) SMN1; SMN2AGTR1HTR6PKMKDM4E
SCHEMBL1573955 0.72 TSHR (0.48) HTTSMN1; SMN2AGTR1HTR6PKM
SCHEMBL7301533 0.72 GAA (0.53) HTTSMN1; SMN2AGTR1HTR6PKM

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
US-4293552-A Novel 1-(mono-o-substituted benzoyl)-3-(substituted pyrazinyl) ureas ELI LILLY AND COMPANY (US) 1981-10-06 US disclosed
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