SCHEMBL10416320

SCHEMBL10416320

CC(=O)OC=Cc1ccc(S)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TTR P02766 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.37
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
F3 P13726 2/20 0.35
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL434268 0.82 CA12 (0.52) KDM4EMEN1LMNATTRTP53
SCHEMBL718002 0.81 ALDH1A1 (0.42) KDM4EMEN1LMNATTRTP53
SCHEMBL58005 0.80 GLA (0.55) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL2985370 0.80 GLA (0.55) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL19923136 0.80 GLA (0.55) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5197712 0.78 GLA (0.53) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL28197253 0.78 GLA (0.53) MEN1LMNAMAPTKMT2ASMN1; SMN2
Methane SCHEMBL27458308 0.78 GLA (0.53) MEN1LMNAMAPTKMT2ASMN1; SMN2
Ammonia Solution, Strong SCHEMBL28298189 0.78 GLA (0.53) MEN1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL5197700 0.78 GLA (0.53) MEN1LMNAMAPTKMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396413-A2 Copolymers of P-mercaptostyrene and its esters HOECHST CELANESE CORPORATION (US) 1990-11-07 EP claimed
US-4929694-A COPOLYMERS WITH STYRENE, N-METHYL MALEIMIDE, SEQUESTERING HOECHST CELANESE CORPORATION (US) 1990-05-29 US claimed
EP-0396413-A2 Copolymers of P-mercaptostyrene and its esters HOECHST CELANESE CORPORATION (US) 1990-11-07 EP disclosed
US-4929694-A COPOLYMERS WITH STYRENE, N-METHYL MALEIMIDE, SEQUESTERING HOECHST CELANESE CORPORATION (US) 1990-05-29 US disclosed