SCHEMBL18617907

SCHEMBL18617907

CCc1ncn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2B Q13224 5/20 0.47
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
CACNA2D1 P54289 1/20 0.39
TSHR P16473 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CHRNA7 P36544 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PTGS2 P35354 1/20 0.37
SCN5A Q14524 1/20 0.37

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
SCHEMBL18581470 0.85 RXRA (0.42) RXRAGRIN1GRIN2BMAPTL3MBTL1
SCHEMBL18617892 0.85 RXRA (0.42) RXRAGRIN1GRIN2BMAPTTP53
SCHEMBL18581168 0.80 PTGS2 (0.42) RXRAGRIN1GRIN2BL3MBTL1POLB
SCHEMBL14617482 0.80 POLB (0.46) RXRAGRIN1GRIN2BMAPTL3MBTL1
SCHEMBL27603083 0.78 NOTUM (0.42) TP53L3MBTL1TSHRCYP1A2CYP2C9
SCHEMBL18579377 0.78 TRPA1 (0.38) RXRAGRIN1GRIN2BMAPTTP53
SCHEMBL18586496 0.78 RXRA (0.43) RXRAGRIN1GRIN2BMAPTL3MBTL1
SCHEMBL18617196 0.78 RXRA (0.43) RXRAGRIN1GRIN2BMAPTL3MBTL1
SCHEMBL14577291 0.77 RXRA (0.42) RXRAGRIN1GRIN2BMAPTTP53
SCHEMBL18581113 0.77 RXRA (0.42) RXRAGRIN1GRIN2BMAPTL3MBTL1

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
WO-2017040194-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 WO disclosed