SCHEMBL19980107

SCHEMBL19980107

Cc1cnn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.38
LMNA P02545 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KCNT1 Q5JUK3 1/20 0.33
KAT6A Q92794 1/20 0.33
STING1 Q86WV6 1/20 0.33
NTRK1 P04629 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ABCC9 O60706 1/20 0.32

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
SCHEMBL19979920 0.90 POLB (0.43) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19979927 0.89 POLB (0.43) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19979924 0.89 POLB (0.47) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19980216 0.88 POLB (0.41) POLBGAALMNAPDE4APDE4B
SCHEMBL19980110 0.83 POLB (0.44) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19979963 0.83 POLB (0.47) POLBGAALMNASCN10AKAT6A
SCHEMBL19980213 0.83 POLB (0.44) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19979902 0.83 POLB (0.46) POLBGAALMNASCN10A
SCHEMBL19979903 0.83 POLB (0.47) POLBGAALMNACYP2C9CYP1A2
SCHEMBL19979874 0.82 POLB (0.43) POLBGAALMNACYP2C9CYP1A2

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