SCHEMBL7640481

SCHEMBL7640481

NC(=O)c1scc(-c2ccccc2O)c1S(N)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 3/20 0.47
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
BCAT2 O15382 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 1/20 0.37
STAT3 P40763 1/20 0.36
CA2 P00918 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CXCR1 P25024 1/20 0.34
CXCR2 P25025 1/20 0.34
MAOA P21397 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL7646547 0.85 CA12 (0.42) HTR2BBCAT2HPGDCA2CA12
SCHEMBL7643245 0.84 CYP3A4 (0.41) RAB9ABCAT2ALDH1A1MAPTCA2
SCHEMBL6913314 0.83 FGFR1 (0.38) HTR2BTHRBBCAT2ALDH1A1MAPT
SCHEMBL7641014 0.82 CA12 (0.46) HTR2BBCAT2CA2CA12CA1
SCHEMBL7647137 0.82 IKBKB (0.43) ALDH1A1HPGDHSD17B10CA2CA12
SCHEMBL7643298 0.76 ALDH1A1 (0.43) ALDH1A1MAPTHPGDHSD17B10KDM4E
SCHEMBL27634010 0.75 HTR2B (0.39) HTR2BRAB9ATHRBALDH1A1MAPT
SCHEMBL6909617 0.71 CA2 (0.41) RAB9AALDH1A1MAPTHPGDHSD17B10
Urea SCHEMBL28397762 0.70 HPGD (0.54) HTR2BRAB9ATHRBBCAT2ALDH1A1
SCHEMBL6906325 0.70 LMNA (0.44) THRBBCAT2ALDH1A1MAPTHPGD

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