SCHEMBL21021899

SCHEMBL21021899

C=C(C)c1ccc(C(F)F)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.35
LMNA P02545 2/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
HTT P42858 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
MDM2 Q00987 2/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL2014424 0.76 TSHR (0.52) NPFFR2MEN1MAPTKMT2ATSHR
SCHEMBL31599679 0.76 TSHR (0.52) NPFFR2MEN1MAPTKMT2ATSHR
SCHEMBL20042871 0.76 TSHR (0.59) TP53MEN1POLBMAPTKMT2A
SCHEMBL22878979 0.76 TP53 (0.31) TP53
SCHEMBL7982038 0.75 MAOA (0.43) LMNAHTTMEN1MAPTKMT2A
SCHEMBL20042775 0.74 ALDH1A1 (0.54) LMNATP53HTTMEN1MAPT
SCHEMBL9274485 0.72 MEN1 (0.38) NPFFR2MEN1MAPTKMT2ATSHR
SCHEMBL11145835 0.72 HSP90AA1 (0.49) LMNAESR1NPFFR2TSHR
SCHEMBL30482512 0.72 MEN1 (0.38) NPFFR2MEN1MAPTKMT2ATSHR
SCHEMBL6128400 0.72 CYP3A4 (0.45) LMNAMEN1POLBMAPTKMT2A

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