SCHEMBL9618200

SCHEMBL9618200

O=S(=O)(NCc1ccccc1)c1nc[nH]n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.50
CA12 O43570 4/20 0.49
CA2 P00918 3/20 0.49
CA7 P43166 2/20 0.49
CA14 Q9ULX7 2/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CA9 Q16790 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CA1 P00915 2/20 0.46
MAPK1 P28482 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL11262830 0.76 AKR1B1 (0.47) SMN1; SMN2POLBCA2LMNAALDH1A1
SCHEMBL28347450 0.72 ALDH1A1 (0.48) POLBCA2ALDH1A1L3MBTL1
SCHEMBL28357732 0.71 VNN1 (0.49) SMN1; SMN2CA2LMNAALDH1A1CYP1A2
SCHEMBL407414 0.70 KEAP1 (1.00) KEAP1SMN1; SMN2POLBCA12CA2
Hydrochloric Acid SCHEMBL3516799 0.69 KEAP1 (0.96) KEAP1SMN1; SMN2POLBCA12CA2
Benzyl(Benzylsulfamoyl)Amine SCHEMBL2298224 0.67 CA12 (1.00) KEAP1SMN1; SMN2CA12CA2CA7
SCHEMBL9492468 0.67 CA1 (0.42) SMN1; SMN2CA2LMNAALDH1A1CA9
SCHEMBL6283786 0.67 KEAP1 (0.76) KEAP1SMN1; SMN2POLBCA12CA2
SCHEMBL28347718 0.66 L3MBTL1 (0.44) SMN1; SMN2CA2LMNAALDH1A1L3MBTL1
SCHEMBL117602 0.66 ALDH1A1 (0.65) KEAP1SMN1; SMN2POLBCA12LMNA

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
JP-4321671-A None JP disclosed
JP-H04321671-A CARBAMOYLTRIAZOLE DERIVATIVE AND HERBICIDE CONTAINING THE DERIVATIVE AS ACTIVE COMPONENT MITSUBISHI PETROCHEM CO LTD 1992-11-11 JP disclosed