SCHEMBL21022053

SCHEMBL21022053

C=C(C)C1C(c2ccc(Cl)c(F)c2)C1(C)Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.33
SLC6A2 P23975 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31
CREBBP Q92793 1/20 0.31
HTR7 P34969 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
SCHEMBL20076567 0.88 SLC9A1 (0.36) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL21020915 0.86 SLC6A2 (0.38) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL21021166 0.85 SLC6A2 (0.33) SLC9A1SLC6A2SLC6A4SLC6A3BRD4
SCHEMBL21022293 0.84 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3BRD4BRD2
SCHEMBL20076404 0.82 SLC9A1 (0.50) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL20076685 0.82 SLC9A1 (0.50) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL21021688 0.82 SLC9A1 (0.34) SLC9A1
SCHEMBL21020851 0.81 SLC6A2 (0.35) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL21022094 0.78 CYP2C19 (0.38) SLC9A1SLC6A2SLC6A4SLC6A3
SCHEMBL20076502 0.77 SLC9A1 (0.35) SLC9A1

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