SCHEMBL19980177

SCHEMBL19980177

CCc1ncn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN10A Q9Y5Y9 5/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
NTRK1 P04629 2/20 0.32
STING1 Q86WV6 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31

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
SCHEMBL19979874 0.88 POLB (0.43) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL19979901 0.88 POLB (0.43) POLBALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL19979900 0.87 POLB (0.43) POLBALDH1A1CYP3A4HSD17B10CYP1A2
SCHEMBL19980201 0.87 POLB (0.45) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19980129 0.87 POLB (0.47) POLBALDH1A1CYP1A2CYP2C9HPGD
SCHEMBL19980130 0.85 POLB (0.41) POLBSCN10AGAALMNASTING1
SCHEMBL19979899 0.84 POLB (0.41) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL19980110 0.81 POLB (0.44) POLBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL19980213 0.81 POLB (0.44) POLBALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL19979902 0.81 POLB (0.46) POLBSCN10AGAALMNAHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018050677-A1 HERBICIDAL PYRIDINES SYNGENTA PARTICIPATIONS AG (CH) 2018-03-22 WO disclosed