SCHEMBL7642248

SCHEMBL7642248

NS(=O)(=O)c1c(C(=O)Oc2ccccc2)sc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA2 P00918 2/20 0.34
MAPT P10636 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NSD2 O96028 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
SLC6A2 P23975 1/20 0.34
PDE4A P27815 1/20 0.34
ADRA1A P35348 1/20 0.34
KDR P35968 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6909704 0.80 ALDH1A1 (0.44) HSD17B10CA2MAPTSMN1; SMN2ALDH1A1
SCHEMBL6794193 0.65 EDNRA (0.53) HPGDALOX15HSD17B10CA2MAPT
SCHEMBL6913710 0.65 L3MBTL1 (0.37) PTGS2CA2LMNACYP3A4ADORA3
SCHEMBL2117606 0.60 CA1 (0.52) HPGDALOX15HSD17B10CA2MAPT
SCHEMBL69758 0.59 HPGD (0.52) PTGS2HPGDALOX15HSD17B10MAPT
SCHEMBL11695864 0.58 ALDH1A1 (0.60) PTGS2MAPTSMN1; SMN2LMNATP53
Sulfuric Acid SCHEMBL8528908 0.57 PARP10 (0.61) HPGDALOX15HSD17B10MAPTSMN1; SMN2
SCHEMBL70871 0.57 HSD17B10 (0.53) HPGDALOX15HSD17B10MAPTNSD2
SCHEMBL9238928 0.57 HPGD (0.53) HPGDALOX15HSD17B10MAPTSMN1; SMN2
SCHEMBL1956495 0.56 HPGD (0.44) HPGDALOX15HSD17B10MAPTSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6432994-B1 CARDIOVASCULAR DISORDERS, GLAUCOMA; ANTIINFLAMMATORY, WOUND HEALING, HYPOTENSIVE, ANTIASTHMATIC, AND ANTIANAPHYLACTIC AGENTS TEXAS BIOTECHNOLOGY CORPORATION 2002-08-13 US disclosed