SCHEMBL28135752

SCHEMBL28135752

Cc1nn(C)c(Nc2c(Br)cccc2CN)c1-c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC34A1 Q06495 5/20 0.34
P2RX7 Q99572 2/20 0.34
DPP4 P27487 3/20 0.33
MAPK14 Q16539 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
GRM5 P41594 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL28103192 0.93 CYP1A2 (0.33) DPP4CYP1A2MAPT
SCHEMBL28135750 0.91 SLC34A1 (0.36) SLC34A1P2RX7DPP4MAPK14PGR
SCHEMBL28952355 0.90 HSD11B1 (0.35) SLC34A1P2RX7DPP4CYP1A2
SCHEMBL28135751 0.88 P2RX7 (0.41) SLC34A1P2RX7DPP4MAPK14
SCHEMBL28103194 0.88 CYP1A2 (0.32) SLC34A1P2RX7DPP4CYP1A2MAPT
SCHEMBL170971 0.87 SLC34A1 (0.37) SLC34A1MAPK14PGRNR3C2GRM5
SCHEMBL173237 0.86 SLC34A1 (0.37) SLC34A1MAPK14PGRNR3C2GRM5
SCHEMBL28103193 0.84 P2RX7 (0.35) SLC34A1P2RX7DPP4CYP1A2MAPT
SCHEMBL28103228 0.82 HSD11B1 (0.37) SLC34A1P2RX7
SCHEMBL29367616 0.81 MAPT (0.35) SLC34A1PGRNR3C2GRM5MAPT

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
CN-106417305-A Fungicidal pyrazoles and their mixtures 杜邦公司 2017-02-22 CN claimed