SCHEMBL8510776

SCHEMBL8510776

O=S(=O)(O)c1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
NT5E P21589 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
CA12 O43570 7/20 0.41
CA2 P00918 7/20 0.41
CA9 Q16790 7/20 0.41
POLB P06746 1/20 0.41
CYP2D6 P10635 1/20 0.41
ENPP2 Q13822 1/20 0.39
CA1 P00915 5/20 0.35
CA14 Q9ULX7 3/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35
MMP2 P08253 1/20 0.34
MMP7 P09237 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
SCHEMBL8507889 1.00 LMNA (0.50) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL50583 0.85 TSHR (0.55) LMNAALDH1A1TSHRNT5ESMN1; SMN2
Water SCHEMBL28012117 0.85 TSHR (0.55) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL447639 0.85 LMNA (0.65) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL525918 0.85 LMNA (0.65) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL3171676 0.85 LMNA (0.65) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL29990536 0.85 LMNA (0.65) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL27450647 0.83 TSHR (0.52) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL2174084 0.83 TSHR (0.52) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL27579780 0.83 TSHR (0.52) LMNAALDH1A1TSHRNT5ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106278963-A The sulfonamides compound of targeting carbonic anhydrase Ⅸ, intermediate and preparation and application 上海原子科兴药业有限公司 2017-01-04 CN disclosed
US-5980590-A HIGH COLOR YIELD; FOR DYEING OR PRINTING OF CELLULOSIC FIBERS, WOOL, AND POLYAMIDE FIBERS DYSTAR TEXILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1999-11-09 US disclosed