SCHEMBL14259041

SCHEMBL14259041

Cc1ccc(N(C)CS(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ MCOLN3 Q8TDD5 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.44
▸ TSHR P16473 1/20 0.44
▸ CA12 O43570 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA2 P00918 2/20 0.44
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL21241487 0.77 POLB (0.47) MAPTALDH1A1CA12CA9CA2
SCHEMBL3467608 0.71 MAPT (0.63) MAPTMCOLN3ALDH1A1TSHRCA12
SCHEMBL8278827 0.70 ALDH1A1 (0.55) MAPTMCOLN3ALDH1A1TSHRMAPK1
SCHEMBL12994623 0.69 MAPT (0.48) MAPTMCOLN3ALDH1A1TSHRCA12
SCHEMBL24604208 0.69 ALDH1A1 (0.52) MAPTMCOLN3ALDH1A1TSHRLMNA
SCHEMBL12789301 0.69 ALDH1A1 (0.52) MAPTMCOLN3ALDH1A1TSHRCA12
SCHEMBL12569403 0.69 ALDH1A1 (0.52) MAPTMCOLN3ALDH1A1TSHRTDP1
SCHEMBL26081358 0.69 ALDH1A1 (0.52) MAPTMCOLN3ALDH1A1TSHRTDP1
SCHEMBL12298626 0.68 RAB9A (0.42) MAPTMCOLN3ALDH1A1TSHRCA12
SCHEMBL10192055 0.68 MAPT (0.59) MAPTMCOLN3ALDH1A1TSHRCA12

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
WO-2008025509-A1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCERS OF THE CENTRAL NERVOUS SYSTEM BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-03-06 — — WO disclosed
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