SCHEMBL19980110

SCHEMBL19980110

Cc1ccn(-c2nc(C(F)(F)F)ccc2C(=O)Nc2nnnn2C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
CBLB Q13191 1/20 0.33
STING1 Q86WV6 1/20 0.33
SMO Q99835 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL19980203 0.87 POLB (0.41) POLBLMNAGAAHCRTR1HCRTR2
SCHEMBL19979902 0.86 POLB (0.46) POLBLMNAGAAHCRTR1HCRTR2
SCHEMBL19979874 0.85 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19979963 0.84 POLB (0.47) POLBLMNAGAAHCRTR1HCRTR2
SCHEMBL19979901 0.83 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980107 0.83 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19979928 0.83 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980201 0.82 POLB (0.45) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19979900 0.82 POLB (0.43) POLBLMNAGAACYP2C9CYP1A2
SCHEMBL19980129 0.82 POLB (0.47) POLBLMNAGAACYP2C9CYP1A2

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