SCHEMBL9009533

SCHEMBL9009533

O=S(=O)(O)ONc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 2/20 0.44
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
KEAP1 Q14145 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FABP1 P07148 1/20 0.40
IL1RN P18510 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
EPHX2 P34913 1/20 0.39
CDK9 P50750 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
IDO1 P14902 1/20 0.39
SNCA P37840 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27336927 0.83 ACP1 (0.41) ACP1CA2CA1KEAP1TSHR
SCHEMBL9543035 0.81 CA2 (0.44) ACP1CA2CA1KEAP1TSHR
SCHEMBL3226500 0.79 CA2 (0.43) ACP1CA2CA1KEAP1TSHR
Sulfuric Acid SCHEMBL6004381 0.77 KEAP1 (0.46) ACP1CA2CA1KEAP1TSHR
SCHEMBL27848346 0.77 CA1 (0.52) CA2CA1KEAP1IL1RNERAP1
SCHEMBL10579140 0.77 CA2 (0.41) ACP1CA2CA1KEAP1TSHR
SCHEMBL9492832 0.77 KEAP1 (0.52) CA2CA1KEAP1TSHRSMN1; SMN2
SCHEMBL29446941 0.76 KEAP1 (0.50) CA2CA1KEAP1TSHRIL1RN
SCHEMBL22187497 0.76 KEAP1 (0.48) CA2CA1KEAP1TSHRSMN1; SMN2
SCHEMBL4575734 0.76 KEAP1 (0.50) CA2CA1KEAP1SMN1; SMN2IL1RN

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-2997360-B1 DISPOSABLE AND DISPERSIBLE EXPLOSIVE DETECTION DEVICE AND METHOD OF SIMULTANEOUS DETECTION OF EXPLOSIVES THE DIRECTOR GENERAL DEFENCE RES & DEVELOPMENT ORGANISATION DRDO (IN) 2024-07-24 EP claimed
US-5534380-A PHOTOSENSITIVE COLORED IMAGES ON SUPPORTS WITH TONERS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-09 US disclosed
EP-0616702-A1 AQUEOUS-PROCESSABLE TONABLE IMAGING ELEMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1994-09-28 EP disclosed
WO-1993012469-A1 AQUEOUS-PROCESSABLE TONABLE IMAGING ELEMENT E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-06-24 WO disclosed