SCHEMBL9254319

SCHEMBL9254319

O=S(=O)(c1ccc(-c2ccc(Cl)cc2)[nH]1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.43
ALDH1A1 P00352 5/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
LMNA P02545 1/20 0.38
GLA P06280 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
KDM1A O60341 1/20 0.35
POLB P06746 2/20 0.34
RAB9A P51151 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 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
SCHEMBL7873725 0.75 ALDH1A1 (0.39) ALDH1A1LMNAHTTPOLBKIF11
SCHEMBL8779966 0.73 PTGS2 (0.35) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL8666733 0.72 EPAS1 (0.39) GCGRALDH1A1KDM4EKMT2AMEN1
SCHEMBL8665112 0.72 EPAS1 (0.41) GCGRALDH1A1KDM4EKMT2AMEN1
SCHEMBL9254245 0.71 ALDH1A1 (0.42) GCGRALDH1A1KDM4EKMT2AMEN1
SCHEMBL9213718 0.70 PIK3CD (0.35) ALDH1A1KDM4EMAPTRAB9ANPC1
SCHEMBL7784928 0.69 GCGR (0.50) GCGRALDH1A1KDM4EKMT2AMEN1
SCHEMBL8662561 0.69 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL8666107 0.68 EPAS1 (0.40) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL8666601 0.68 PTGS2 (0.40) ALDH1A1KDM4EKMT2AMEN1GAA

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-5378724-A Insecticide. miticide, nematocide BAYER AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
EP-0591806-A1 Substituted 2-arylpyrroles BAYER AG (DE) 1994-04-13 EP disclosed