SCHEMBL8895595

SCHEMBL8895595

CN1C(=S)O[C@H](c2ccccc2)[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ EPHX1 P07099 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX12 P18054 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ RIPK1 Q13546 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ KIF11 P52732 3/20 0.33
▸ MEN1 O00255 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
SCHEMBL6739705 0.67 ATM (0.42) POLBALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL6736592 0.67 ATM (0.42) POLBALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL6778355 0.63 HSD17B2 (0.56) —
SCHEMBL6778353 0.63 HSD17B2 (0.56) —
SCHEMBL8380944 0.62 EPHX1 (0.37) POLBEPHX1KDM4EALDH1A1ALOX12
SCHEMBL3649071 0.61 SLC6A2 (0.49) POLBSMN1; SMN2HTTRIPK1
SCHEMBL9016269 0.61 TSHR (0.44) HTR1ATSHRKMT2AMEN1
SCHEMBL5298515 0.61 TSHR (0.44) HTR1ATSHRKMT2AMEN1
SCHEMBL13184074 0.61 TSHR (0.44) HTR1ATSHRKMT2AMEN1
SCHEMBL1743559 0.61 TSHR (0.44) HTR1ATSHRKMT2AMEN1

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-5643872-A ANTIAGGLOMERANTS FOR PLATELETS, ANTICOAGULANTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-01 — — US disclosed
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