SCHEMBL28135751

SCHEMBL28135751

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 9/20 0.41
SLC34A1 Q06495 5/20 0.38
CYP3A4 P08684 2/20 0.35
HSD11B1 P28845 1/20 0.34
MAPK14 Q16539 1/20 0.34
DPP4 P27487 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
SCHEMBL28103528 0.93 HSD11B1 (0.40) P2RX7SLC34A1HSD11B1MAPK14
SCHEMBL28135750 0.91 SLC34A1 (0.36) P2RX7SLC34A1MAPK14DPP4
SCHEMBL28103193 0.90 P2RX7 (0.35) P2RX7SLC34A1HSD11B1DPP4
SCHEMBL28103228 0.88 HSD11B1 (0.37) P2RX7SLC34A1CYP3A4HSD11B1
SCHEMBL28135752 0.88 SLC34A1 (0.34) P2RX7SLC34A1MAPK14DPP4
SCHEMBL171106 0.87 SLC34A1 (0.41) P2RX7SLC34A1HSD11B1MAPK14
SCHEMBL175809 0.86 LCK (0.41) P2RX7SLC34A1HSD11B1
SCHEMBL28952355 0.84 HSD11B1 (0.35) P2RX7SLC34A1CYP3A4HSD11B1DPP4
SCHEMBL28103194 0.82 CYP1A2 (0.32) P2RX7SLC34A1DPP4
SCHEMBL31414012 0.82 HSD11B1 (0.46) P2RX7SLC34A1HSD11B1MAPK14

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