SCHEMBL4541925

SCHEMBL4541925

CCOC(=O)c1cnn(-c2ncc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 4/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
MAPT P10636 2/20 0.66
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
HTT P42858 1/20 0.54
TSHR P16473 3/20 0.53
HPGD P15428 3/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 1/20 0.51
RECQL P46063 1/20 0.51
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48

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
SCHEMBL6071131 0.89 MEN1 (0.57) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL9211791 0.86 NPC1 (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL10687209 0.85 HTT (0.63) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL4541462 0.83 SMN1; SMN2 (0.47) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL6476695 0.83 MAPT (0.51) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL10400843 0.82 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL23580995 0.80 MAPT (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL29882554 0.80 MAPT (0.64) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL31117171 0.80 MAPT (0.67) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL10689243 0.79 MAPT (1.00) RAB9ANPC1SMN1; SMN2MAPTMEN1

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
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
WO-2009117421-A2 HETEROCYCLIC MODULATORS OF GPR119 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2009-09-24 WO disclosed
EP-0846113-B1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AG (DE) 2003-01-29 EP disclosed
US-6107253-A GOOD HERBICIDAL ACTION AND ARE TOLERABLE IN CROPS SUCH AS WHEAT OR RICE BASF AKTIENGESELLSCHAFT (DE) 2000-08-22 US disclosed
WO-1997007114-A1 1-(PYRIDYL)-PYRAZOLS AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-02-27 WO disclosed
US-4772312-A PRE-AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1988-09-20 US disclosed
EP-0207285-A1 5-Amino-1-pyridyl-pyrazoles BAYER AG (DE) 1987-01-07 EP disclosed