SCHEMBL19980132

SCHEMBL19980132

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CD38 P28907 7/20 0.40
CYP1A2 P05177 4/20 0.40
CYP2C19 P33261 1/20 0.40
TRPV1 Q8NER1 1/20 0.37
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
GAA P10253 1/20 0.34
MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL19979902 0.84 POLB (0.46) POLBLMNASCN10AGAA
SCHEMBL19979903 0.83 POLB (0.47) POLBCYP1A2CYP2C19LMNASCN10A
SCHEMBL19980215 0.82 POLB (0.44) POLBCYP1A2CYP2C19LMNAALDH1A1
SCHEMBL19980213 0.82 POLB (0.44) POLBCYP1A2CYP2C19LMNAALDH1A1
SCHEMBL19979963 0.82 POLB (0.47) POLBLMNASCN10AGAAMALT1
SCHEMBL19980176 0.80 POLB (0.44) POLBCYP1A2CYP2C19LMNASCN10A
SCHEMBL19980110 0.80 POLB (0.44) POLBCYP1A2CYP2C19LMNASCN10A
SCHEMBL19980178 0.80 POLB (0.42) POLBLMNASCN10AGAA
SCHEMBL147094 0.80 LMNA (0.55) POLBLMNAGAA
SCHEMBL19979874 0.79 POLB (0.43) POLBCYP1A2CYP2C19LMNASCN10A

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