SCHEMBL19979927

SCHEMBL19979927

Cn1nnnc1NC(=O)c1ccc(C(F)(F)F)nc1-n1cc(Br)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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 0.89 POLB (0.43) POLBGAALMNAHPGDCYP1A2
SCHEMBL19980107 0.89 POLB (0.43) POLBGAALMNAHPGDCYP1A2
SCHEMBL19979924 0.89 POLB (0.47) POLBGAALMNAHPGDCYP1A2
SCHEMBL19980216 0.87 POLB (0.41) POLBGAALMNASCN10AALDH1A1
SCHEMBL19979900 0.83 POLB (0.43) POLBGAALMNAHPGDCYP1A2
SCHEMBL19979963 0.82 POLB (0.47) POLBGAALMNASCN10ANPC1
SCHEMBL19980213 0.82 POLB (0.44) POLBGAALMNAHPGDCYP1A2
SCHEMBL19979902 0.82 POLB (0.46) POLBGAALMNASCN10A
SCHEMBL19979903 0.82 POLB (0.47) POLBGAALMNAHPGDCYP1A2
SCHEMBL29827351 0.81 POLB (0.51) POLBGAALMNAHPGDCYP1A2

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