SCHEMBL10694737

SCHEMBL10694737

CCOC(=O)C(C)Oc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
PKM P14618 3/20 0.46
HPGD P15428 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL10690529 0.88 KMT2A (0.53) MEN1KMT2AMAPK1CYP1A2CYP2C19
SCHEMBL731273 0.82 L3MBTL1 (0.62) MEN1KMT2AHPGDL3MBTL1ALDH1A1
SCHEMBL11262145 0.82 IDH1 (0.46) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL11280124 0.82 POLB (0.53) MEN1KMT2AHPGDL3MBTL1POLB
SCHEMBL10694742 0.81 MEN1 (0.45) MEN1KMT2AMAPK1CYP1A2CYP2C19
SCHEMBL11514005 0.81 IDH1 (0.46) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL11516273 0.80 IDH1 (0.53) KMT2AL3MBTL1NPSR1POLB
SCHEMBL11516087 0.80 IDH1 (0.48) MEN1KMT2AL3MBTL1ALDH1A1POLB
SCHEMBL11512650 0.78 KMT2A (0.49) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL10644918 0.77 SMN1; SMN2 (0.53) MEN1KMT2AMAPK1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4753673-A GRASSY WEEDS THE DOW CHEMICAL COMPANY (US) 1988-06-28 US disclosed
US-4628099-A INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1986-12-09 US disclosed
US-4551170-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-11-05 US disclosed
US-4523017-A REACTING CHLORIDE SUBSTITUTED PYRIDINE COMPOUND WITH SUBSTITUTED PHENOL COMPOUND THE DOW CHEMICAL COMPANY (US) 1985-06-11 US disclosed
US-4491468-A Herbicidal trifluoromethyl pyridinyloxyphenoxy and pyridinylthiophenoxy propanenitriles and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1985-01-01 US disclosed
US-4479001-A Trifluoromethyl pyridinylthiophenoxy propanoic acids and propanols and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1984-10-23 US disclosed