SCHEMBL11169689

SCHEMBL11169689

CCOC(=O)c1cc(S(C)(=O)=O)cc2c1Cc1ccccc1[S+]2[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.39
▸ LMNA P02545 5/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 1/20 0.36

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
SCHEMBL51941 0.84 ALDH1A1 (0.43) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL51134 0.84 TSHR (0.41) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL51834 0.83 TSHR (0.40) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL9455916 0.83 TSHR (0.40) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL9456118 0.82 TSHR (0.50) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL11173009 0.81 HSP90AA1 (0.38) TSHRALDH1A1KMT2AMAPTHSP90AA1
SCHEMBL10831575 0.81 SMN1; SMN2 (0.42) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL10806484 0.80 TSHR (0.38) TSHRALDH1A1KMT2AMAPTHSP90AA1
SCHEMBL10830507 0.78 TSHR (0.36) TSHRLMNAALDH1A1KMT2AMAPT
SCHEMBL10940647 0.78 HTR6 (0.33) LMNAALDH1A1POLBKDM4EGAA

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-4385182-A SENSITIZERS OR PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1983-05-24 — — US disclosed
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