SCHEMBL22897759

SCHEMBL22897759

Cc1ccc(COCC(F)(F)F)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 5/20 0.40
▸ SLC6A2 P23975 4/20 0.40
▸ SLC6A3 Q01959 4/20 0.40
▸ ALOX15 P16050 3/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 3/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ G6PD P11413 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL29559582 1.00 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL22897742 0.89 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL28691729 0.87 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL22897883 0.87 SMN1; SMN2 (0.40) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL22897932 0.84 SLC6A4 (0.36) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL29559393 0.84 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL22897756 0.84 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL29116803 0.84 TDP1 (0.50) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL22897933 0.83 TDP1 (0.39) SLC6A4SLC6A2SLC6A3ALOX15TDP1
SCHEMBL29559831 0.83 TDP1 (0.39) SLC6A4SLC6A2SLC6A3ALOX15TDP1

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-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 — — WO disclosed
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