SCHEMBL7643298

SCHEMBL7643298

COc1cccc(-c2csc(C(N)=O)c2S(N)(=O)=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA2 P00918 3/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA14 Q9ULX7 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IKBKB O14920 1/20 0.36
MEN1 O00255 1/20 0.35
ADORA3 P0DMS8 2/20 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
SCHEMBL7647137 0.89 IKBKB (0.43) ALDH1A1HPGDHSD17B10KMT2AGAA
SCHEMBL6909617 0.79 CA2 (0.41) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL7646547 0.77 CA12 (0.42) HPGDCA2CA12CA1IKBKB
SCHEMBL7640481 0.76 HTR2B (0.47) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL7641014 0.73 CA12 (0.46) CA2CA12CA1LMNA
SCHEMBL5242291 0.70 PARP1 (0.51) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL196440 0.68 MGAM (0.55) ALDH1A1KDM4EHPGDHSD17B10MGAM
SCHEMBL6807395 0.67 CA2 (0.51) ALDH1A1KDM4EHPGDHSD17B10KMT2A
SCHEMBL14345043 0.66 CA2 (0.50) MGAMGAASIMGAM2CA2
SCHEMBL6536005 0.66 KDM4E (0.57) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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