SCHEMBL21020907

SCHEMBL21020907

Cc1ccc(N)cc1-c1ccc(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.47
KIT P10721 1/20 0.43
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 4/20 0.42
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ABL1 P00519 1/20 0.38
POLB P06746 1/20 0.38
BRD4 O60885 1/20 0.38
MAPK14 Q16539 2/20 0.36
DPP4 P27487 2/20 0.36
ANPEP P15144 1/20 0.36
NISCH Q9Y2I1 1/20 0.36

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
SCHEMBL14989348 0.83 PDE3B (0.42) KITALDH1A1CASP1TSHRCYP3A4
SCHEMBL25248233 0.82 ALDH1A1 (0.46) KITALDH1A1TSHRCYP3A4MEN1
SCHEMBL21021238 0.82 PLA2G7 (0.62) PLA2G7KITALDH1A1CASP1TSHR
SCHEMBL6571302 0.81 PLA2G7 (0.47) PLA2G7ALDH1A1CASP1TSHRCYP3A4
SCHEMBL28626810 0.81 ALDH1A1 (0.56) KITALDH1A1TSHRCYP3A4MEN1
Hydrochloric Acid SCHEMBL6574870 0.80 PLA2G7 (0.46) PLA2G7ALDH1A1CASP1TSHRCYP3A4
SCHEMBL30092397 0.79 PLA2G7 (0.65) PLA2G7ALDH1A1CASP1TSHRCYP3A4
SCHEMBL8848693 0.79 PLA2G7 (0.65) PLA2G7ALDH1A1CASP1TSHRCYP3A4
SCHEMBL31607621 0.79 PLA2G7 (0.65) PLA2G7ALDH1A1CASP1TSHRCYP3A4
SCHEMBL21020920 0.79 ALDH1A1 (0.45) PLA2G7KITALDH1A1CASP1TSHR

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed