SCHEMBL21021735

SCHEMBL21021735

Cc1cc(F)ccc1-c1cc(N)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.49
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.41
HSD11B1 P28845 1/20 0.39
BRD4 O60885 1/20 0.38
BRDT Q58F21 1/20 0.38
CREBBP Q92793 1/20 0.38
CECR2 Q9BXF3 1/20 0.38
BRD9 Q9H8M2 1/20 0.38
BRD7 Q9NPI1 1/20 0.38
MAPK14 Q16539 1/20 0.38
DPP4 P27487 2/20 0.37
PDE10A Q9Y233 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
CASP1 P29466 2/20 0.35
KDM1A O60341 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
TLR8 Q9NR97 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.34

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 0.80 PDE3B (0.42) CYP3A4TSHRMAPK14PDE10AALDH1A1
SCHEMBL21021238 0.79 PLA2G7 (0.62) PLA2G7CYP3A4TSHRHSD11B1PDE10A
SCHEMBL18430945 0.77 PLA2G7 (0.75) PLA2G7CYP3A4TSHRBRD4BRDT
SCHEMBL14039912 0.77 PDE3B (0.44) PDE10ATLR8GPBAR1ESR1CA1
SCHEMBL2807338 0.77 CYP3A4 (0.65) PLA2G7CYP3A4TSHRALDH1A1CASP1
SCHEMBL21020966 0.76 CYP3A4 (0.37) PLA2G7CYP3A4TSHRDPP4ALDH1A1
SCHEMBL27186003 0.73 CYP3A4 (0.61) PLA2G7CYP3A4TSHRALDH1A1CASP1
SCHEMBL31661394 0.73 CYP3A4 (0.61) PLA2G7CYP3A4TSHRALDH1A1CASP1
SCHEMBL600882 0.72
SCHEMBL16280579 0.72 ALDH1A1 (0.65) PLA2G7CYP3A4TSHRDPP4PDE10A

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