SCHEMBL9734308

SCHEMBL9734308

O=S(=O)(c1cccc(F)n1)N1CCSCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
PKM P14618 1/20 0.41
PKLR P30613 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 12/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
CYP1A2 P05177 1/20 0.38
PRKCB P05771 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PRKCA P17252 1/20 0.38
PRKACA P17612 1/20 0.38
PRKACG P22612 1/20 0.38
PRKACB P22694 1/20 0.38
PRKCH P24723 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKCI P41743 1/20 0.38

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
SCHEMBL9734635 0.85 SMN1; SMN2 (0.47) TSHRPKMPKLRHSD11B1LMNA
SCHEMBL9735682 0.84 TSHR (0.49) TSHRPKMPKLRHSD11B1LMNA
SCHEMBL9735393 0.81 HSD11B1 (0.50) TSHRPKML3MBTL1HSD11B1LMNA
SCHEMBL9734258 0.76 L3MBTL1 (0.43) TSHRL3MBTL1HSD11B1LMNA
SCHEMBL3466241 0.74 HSD11B1 (0.51) PKMPKLRHSD11B1
SCHEMBL3468056 0.72 HSD11B1 (0.49) HSD11B1
SCHEMBL29779559 0.70 PKM (0.58) TSHRPKMPKLRL3MBTL1LMNA
SCHEMBL3045649 0.67 L3MBTL1 (0.62) TSHRPKML3MBTL1LMNA
SCHEMBL29432528 0.67 PKM (0.54) TSHRPKMPKLRL3MBTL1KDM4E
SCHEMBL3636698 0.67 L3MBTL1 (0.42) TSHRL3MBTL1LMNAKDM4E

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
US-5137886-A Agriculture IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-11 US disclosed
EP-0433001-A1 Insecticidal compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-19 EP disclosed