SCHEMBL8743756

SCHEMBL8743756

Cc1ccc(O)c(Cc2c([N+](=O)[O-])cccc2[N+](=O)[O-])c1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
GPR35 Q9HC97 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KCNMA1 Q12791 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4053019 0.81 TSHR (0.45) TSHRSMN1; SMN2GPR35TDP1L3MBTL1
SCHEMBL27584017 0.77 SMN1; SMN2 (0.40) SMN1; SMN2L3MBTL1HSD17B10MAPTMEN1
SCHEMBL731101 0.77 TSHR (0.56) TSHRSMN1; SMN2GPR35TDP1L3MBTL1
Hydrochloric Acid SCHEMBL11759847 0.75 TSHR (0.55) TSHRSMN1; SMN2GPR35TDP1L3MBTL1
SCHEMBL284468 0.75 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1L3MBTL1HSD17B10
SCHEMBL284471 0.75 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1L3MBTL1HSD17B10
SCHEMBL11207636 0.75 GPR35 (0.60) TSHRSMN1; SMN2GPR35TDP1KCNMA1
SCHEMBL6926349 0.73 SMN1; SMN2 (0.48) TSHRSMN1; SMN2TDP1L3MBTL1HSD17B10
SCHEMBL5248139 0.72 TDP1 (0.58) TSHRSMN1; SMN2GPR35TDP1HSD17B10
SCHEMBL14991413 0.72 KMT2A (0.50) SMN1; SMN2GPR35TDP1CA12CA1

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
EP-2326744-B1 METAL COMPOSITIONS AND METHODS OF MAKING SAME PRYOG LLC (US) 2022-06-01 EP claimed
EP-0679951-B1 Positive resist composition TOKYO OHKA KOGYO CO LTD (JP) 1997-01-15 EP claimed
EP-0762207-A2 Positive working photosensitive composition and method of producing relief structures BASF AKTIENGESELLSCHAFT (DE) 1997-03-12 EP disclosed