SCHEMBL7014985

SCHEMBL7014985

COc1cnc(-c2ccc(C(F)(F)F)cc2)nc1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.71
PPP1CA P62136 2/20 0.71
ALDH1A1 P00352 3/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
NPSR1 Q6W5P4 4/20 0.58
MEN1 O00255 4/20 0.58
MAPT P10636 1/20 0.58
L3MBTL1 Q9Y468 4/20 0.53
ABCG2 Q9UNQ0 1/20 0.52
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
ADORA2A P29274 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
SCHEMBL6182752 0.86 NPSR1 (0.55) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL7009267 0.83 KMT2A (0.53) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL6826997 0.82 PPP1CA (0.65) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL25319416 0.80 L3MBTL1 (0.51) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL7007726 0.77 CYP1A2 (0.51) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL7007059 0.77 ABCG2 (0.58) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL7013398 0.76 MAPT (0.50) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL9161561 0.75 PDE4B (0.49) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL7005800 0.74 NPSR1 (0.53) KMT2APPP1CAALDH1A1CYP1A2CYP2C9
SCHEMBL336755 0.74 FFAR4 (0.52) KMT2APPP1CAALDH1A1CYP1A2CYP2C9

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
EP-0723960-B1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines BASF AG (DE) 2003-04-02 EP claimed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP claimed
EP-1278502-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-05-21 EP disclosed
EP-1278502-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-01-29 EP disclosed
WO-2001089451-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-11-29 WO disclosed
US-5849758-A Herbicidal 2, 6-disubstituted pyridines and 2, 4-disubstituted pyrimidines AMERICAN CYANAMID COMPANY (US) 1998-12-15 US disclosed
EP-0723960-A1 Herbicidal 2,6-disubstituted pyridines and 2,4-disubstituted pyrimidines American Cyanamid Company (US) 1996-07-31 EP disclosed