SCHEMBL5014066

SCHEMBL5014066

CC(O)SCc1ccccc1CSC(C)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ADRB2 P07550 4/20 0.33
ADRB1 P08588 4/20 0.33
TRPA1 O75762 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32

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
SCHEMBL20854762 0.87 DAO (0.42) LMNASMN1; SMN2MAPT
SCHEMBL9068187 0.82 ALDH1A1 (0.35) GABRA1GABRB2LMNAADRB2ADRB1
SCHEMBL10585977 0.79 NPSR1 (0.47) SMN1; SMN2TRPA1
SCHEMBL5015422 0.75 EPHX1 (0.46) SMN1; SMN2
SCHEMBL19571032 0.73 GABRA1 (0.43) GABRA1GABRB2SMN1; SMN2MAPT
SCHEMBL24768177 0.71 GABRA1 (0.47) GABRA1GABRB2MAPTPKM
SCHEMBL3138628 0.70 EPHX1 (0.42) LMNA
SCHEMBL3125412 0.70
SCHEMBL8718202 0.69 MEN1 (0.42) LMNASMN1; SMN2MAPTPKMTRPA1
SCHEMBL19407827 0.69 RIPK1 (0.41) TRPA1

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
EP-0310944-B1 BISOXETHYLSULFONYLMETHYL ANILINES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-13 EP claimed
US-20080200582-A1 High refractive index monomers, compositions and uses thereof CIBA CORP. 2008-08-21 US disclosed