SCHEMBL8518206

SCHEMBL8518206

C=CCc1ncccc1S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ COMT P21964 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MAPT P10636 1/20 0.37
▸ NAPRT Q6XQN6 1/20 0.37
▸ NFE2L2 Q16236 7/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IDE P14735 1/20 0.35
▸ DUSP3 P51452 1/20 0.35
▸ CCR6 P51684 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TSHR P16473 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
SCHEMBL28666967 0.77 COMT (0.44) ALDH1A1KDM4ECOMTCYP1A2ALOX15
Hydrochloric Acid SCHEMBL28306815 0.76 COMT (0.42) ALDH1A1KDM4ECOMTCYP1A2ALOX15
Hydrochloric Acid SCHEMBL28293570 0.76 ALDH1A1 (0.44) ALDH1A1KDM4ECOMTCYP1A2ALOX15
SCHEMBL5612946 0.74 ALDH1A1 (0.44) ALDH1A1KDM4ECOMTCYP1A2ALOX15
SCHEMBL28268032 0.73 KDM4E (0.42) ALDH1A1KDM4ECOMTCYP1A2ALOX15
SCHEMBL27866602 0.73 KDM4E (0.41) ALDH1A1KDM4ECOMTCYP1A2HSD17B10
SCHEMBL1525816 0.73 ALDH1A1 (0.59) ALDH1A1KDM4ECOMTHIF1AHSD17B10
Hydrochloric Acid SCHEMBL27769855 0.72 KDM4E (0.40) ALDH1A1KDM4ECOMTCYP1A2HSD17B10
SCHEMBL30700 0.72 GABRA1 (0.44) ALDH1A1KDM4EMEN1POLBKMT2A
SCHEMBL6548552 0.72 GABRA1 (0.44) ALDH1A1KDM4EMEN1POLBKMT2A

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
EP-0736111-B1 METALLIC SCREEN MATERIAL HAVING A STRAND OR FIBRE STRUCTURE, AND METHOD FOR MANUFACTURING SUCH A MATERIAL STORK SCREENS BV (NL) 1999-04-21 — — EP claimed
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