SCHEMBL16720141

SCHEMBL16720141

O=S(=O)(NCn1cccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PKM P14618 3/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
KEAP1 Q14145 2/20 0.53
KDM4E B2RXH2 1/20 0.53
GBA1 P04062 2/20 0.49
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MMP13 P45452 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
IL1RN P18510 1/20 0.44
ERAP1 Q9NZ08 1/20 0.44

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
SCHEMBL8349568 0.74 ALDH1A1 (0.79) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL4664975 0.74 ATM (0.55) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL4957448 0.73 ATM (0.54) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL25334133 0.73 ALDH1A1 (0.74) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL5450999 0.73 ALDH1A1 (0.63) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL8881270 0.72 ALDH1A1 (0.68) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL10453840 0.71 ALDH1A1 (0.96) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL2371761 0.71 ALDH1A1 (0.61) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL3651548 0.71 ALDH1A1 (0.61) ALDH1A1PKMLMNASMN1; SMN2KEAP1
SCHEMBL301743 0.71 ALDH1A1 (0.67) ALDH1A1PKMLMNASMN1; SMN2KEAP1

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
EP-3068758-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE The Wistar Institute Of Anatomy And Biology (US) 2016-09-21 EP disclosed
WO-2015073864-A1 EBNA1 INHIBITORS AND THEIR METHOD OF USE THE WISAR INSTITUTE OF ANATOMY AND BIOLOGY (US) 2015-05-21 WO disclosed