SCHEMBL19980134

SCHEMBL19980134

Cc1nc(C(F)(F)F)nn1-c1nc(C(F)(F)F)ccc1C(=O)Nc1nnnn1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.36
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
STING1 Q86WV6 1/20 0.33
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
ABCC9 O60706 1/20 0.32
ABCC8 Q09428 1/20 0.32
KCNJ11 Q14654 1/20 0.32
KCNJ8 Q15842 1/20 0.32
GRM5 P41594 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
SCHEMBL19980127 0.91 POLB (0.44) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980200 0.89 POLB (0.47) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19979928 0.84 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980176 0.83 POLB (0.44) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19979901 0.82 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980199 0.82 POLB (0.45) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980215 0.81 POLB (0.44) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980110 0.81 POLB (0.44) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL147094 0.81 LMNA (0.55) POLBLMNAGAACYP2C9STING1
SCHEMBL19979902 0.81 POLB (0.46) POLBLMNAGAASCN10A

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