SCHEMBL21021905

SCHEMBL21021905

CCc1ccc(C2C(c3cccc(C(F)F)c3)C2(C)Cl)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.31
SLC9A1 P19634 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 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
SCHEMBL21022128 0.90 RXRA (0.33) RXRAGRIN1GRIN2BTSHRMAPK1
SCHEMBL21021684 0.83 TSHR (0.31) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL21021762 0.78 SLC9A1 (0.32) SLC9A1
SCHEMBL21021588 0.78 SLC5A2 (0.35) RXRAGRIN1GRIN2BSLC9A1
SCHEMBL21020709 0.77 SLC9A1 (0.34) SLC9A1
SCHEMBL20076684 0.74 SLC9A1 (0.38) RXRAGRIN1GRIN2BTSHRL3MBTL1
SCHEMBL20076455 0.74 SLC5A2 (0.34) SLC9A1
SCHEMBL21021542 0.73 SLC9A1 (0.37) ATMSLC9A1
SCHEMBL21022090 0.73 CNR2 (0.40) TSHRMAPK1ATMTDP1L3MBTL1
SCHEMBL21022116 0.72 SLC9A1 (0.39) GRIN2BMAPK1SLC9A1

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