SCHEMBL4283780

SCHEMBL4283780

Cn1ncc(OCC(F)(F)F)c(Br)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 9/20 0.38
▸ MTOR P42345 1/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1H O95180 1/20 0.37
▸ CACNA1I Q9P0X4 1/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ BPTF Q12830 1/20 0.36
▸ KAT2B Q92831 1/20 0.36
▸ BRD9 Q9H8M2 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ G6PD P11413 1/20 0.34

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
SCHEMBL4296086 0.83 BRD4 (0.38) L3MBTL1ALDH1A1BRD9KDM4EMEN1
SCHEMBL4292123 0.82 MAPT (0.36) CACNA1GCACNA1HCACNA1IL3MBTL1ALDH1A1
SCHEMBL4498149 0.75 RAB9A (0.55) MAPK14MTORL3MBTL1ALDH1A1BPTF
SCHEMBL26124920 0.74 DGAT1 (0.45) MAPK14CACNA1GCACNA1HCACNA1IL3MBTL1
SCHEMBL8281636 0.73 ALDH1A1 (0.39) MAPK14MTORL3MBTL1ALDH1A1BPTF
SCHEMBL16651949 0.68 HTT (0.42) L3MBTL1ALDH1A1KDM4EMEN1USP2
SCHEMBL4292263 0.67 NPC1 (0.50) MTORALDH1A1BPTFKAT2BBRD9
SCHEMBL15553026 0.65 BRD4 (0.41) CACNA1GCACNA1HCACNA1IL3MBTL1ALDH1A1
SCHEMBL23318253 0.64 KAT2B (0.43) MTORALDH1A1BPTFKAT2BBRD9
SCHEMBL8281635 0.64 MTOR (0.43) MTORALDH1A1BPTFKAT2BBRD9

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-2009158258-A1 HERBICIDAL DIHYDRO OXO SIX-MEMBERED AZINYL ISOXAZOLINES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-12-30 — — WO disclosed
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