SCHEMBL6496100

SCHEMBL6496100

CCS(=O)(=O)c1ccc([NH])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 2/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PLCG1 P19174 1/20 0.39
JAK2 O60674 1/20 0.38
MMP13 P45452 2/20 0.37
MMP8 P22894 1/20 0.37
CA2 P00918 1/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HSD11B1 P28845 1/20 0.36
RORC P51449 1/20 0.36
PTGS2 P35354 1/20 0.36
KIF11 P52732 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL10455034 0.87 PSIP1 (0.74) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL10619867 0.84 ALDH1A1 (0.47) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL9770084 0.81 ALDH1A1 (0.53) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL1251768 0.80 PSIP1 (0.58) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL23351954 0.77 PSIP1 (0.61) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL86088 0.77 ALDH1A1 (0.67) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL2642650 0.77 PSIP1 (0.61) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL9908320 0.75 PSIP1 (0.68) PSIP1GAAALDH1A1CA2KMT2A
SCHEMBL5375 0.75 PLCG1 (0.70) PSIP1GAAALDH1A1CYP3A4CYP2C9
SCHEMBL1657371 0.75 CA2 (0.59) PSIP1GAAMMP8CA2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP claimed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 US disclosed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 US disclosed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 US disclosed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 EP disclosed