SCHEMBL21021248

SCHEMBL21021248

CCc1ccc(C2C(c3cc(F)c(Br)c(CC)c3)C2(O)Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.39
SLC5A2 P31639 4/20 0.32
ATM Q13315 1/20 0.32
SLC5A1 P13866 3/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KDM1A O60341 1/20 0.30
RCOR1 Q9UKL0 1/20 0.30

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
SCHEMBL21022153 0.81 KDM1A (0.34) SLC9A1ATMKDM1ARCOR1
SCHEMBL21029939 0.79 SLC5A2 (0.37) SLC9A1SLC5A2ATMSLC5A1
SCHEMBL21020918 0.77 SLC5A2 (0.35) SLC9A1SLC5A2SLC5A1CNR1CNR2
SCHEMBL21021712 0.74 SLC5A2 (0.36) SLC5A2SLC5A1CNR1CNR2
SCHEMBL21021175 0.69 SLC5A2 (0.34) SLC5A2SLC5A1CNR1CNR2
SCHEMBL21021542 0.66 SLC9A1 (0.37) SLC9A1SLC5A2ATMSLC5A1
SCHEMBL21021795 0.65 ALOX5 (0.47)
SCHEMBL21021706 0.65 CNR1 (0.35) SLC9A1SLC5A2SLC5A1CNR1CNR2
SCHEMBL20076684 0.64 SLC9A1 (0.38) SLC9A1SLC5A2SLC5A1
SCHEMBL21022090 0.62 CNR2 (0.40) SLC9A1SLC5A2ATMSLC5A1CNR1

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