SCHEMBL9367309

SCHEMBL9367309

COC(=O)c1sc(C(=O)OC)c(O)c1C

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.49
HPGD P15428 4/20 0.49
MAPT P10636 5/20 0.48
TSHR P16473 4/20 0.48
KMT2A Q03164 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 2/20 0.46
KDM4E B2RXH2 1/20 0.42
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL10415349 0.87 ALDH1A1 (0.42) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL2809243 0.86 MAPT (0.56) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL1086028 0.86 KMT2A (0.56) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL10451708 0.85 TSHR (0.43) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL9371067 0.85 MAPT (0.47) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL1720659 0.84 KMT2A (0.54) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL9365836 0.82 MAPT (0.44) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL3907317 0.82 MAPT (0.44) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL9367269 0.82 MAPT (0.44) ALDH1A1HPGDMAPTTSHRKMT2A
SCHEMBL10925924 0.79 MAPT (0.56) ALDH1A1HPGDMAPTTSHRKMT2A

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0368464-B1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY SA (ES) 1994-02-02 EP disclosed
US-5021449-A N-pyrrolidinyl-3 alkyloxythienyl-2-carboxamides; antiemetics, antidepressants, schizophrenia LILLY S.A. (ES) 1991-06-04 US disclosed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
EP-0368464-A1 Thiopene-2 carboxamide derivatives and their pharmaceutical use LILLY S.A. (ES) 1990-05-16 EP disclosed
US-4871864-A Carbamoyloxythiophene fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-10-03 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4839381-A FUNGICIDES, PESTICIDES; RICE PLANTS BAYER AKTIENGESELLSCHAFT (DE) 1989-06-13 US disclosed
EP-0207355-B1 ALKOXYCARBONYL-SUBSTITUTED HYDROXYTHIOPHENE CARBOXAMIDES BAYER AG (DE) 1988-10-19 EP disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
US-4757085-A Pharmaceuticals BAYER AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
US-4752607-A Alkoxycarbonyl-substituted hydroxythiophene-carboxamides, fungicidal compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-06-21 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed
EP-0207355-A1 Alkoxycarbonyl-substituted hydroxythiophene carboxamides BAYER AG (DE) 1987-01-07 EP disclosed