SCHEMBL29576263

SCHEMBL29576263

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C(=O)Cl)c2)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
CTSB P07858 1/20 0.40
NOTUM Q6P988 4/20 0.39
ALDH1A1 P00352 5/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
POLB P06746 2/20 0.34
CASP6 P55212 2/20 0.34
CTDSP1 Q9GZU7 2/20 0.34
RECQL P46063 2/20 0.34
PKM P14618 2/20 0.34
NSD2 O96028 1/20 0.34
APEX1 P27695 1/20 0.34
CASP3 P42574 1/20 0.34
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 2/20 0.33
P2RX7 Q99572 1/20 0.32

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
SCHEMBL9168174 1.00 TDP1 (0.40) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL1807362 0.90 TDP1 (0.52) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL9423041 0.90 TDP1 (0.40) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL6465173 0.89 LMNA (0.47) TDP1CTSBNOTUMALDH1A1L3MBTL1
Ethylene SCHEMBL9423310 0.88 TDP1 (0.39) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL9423187 0.87 TDP1 (0.38) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL6697536 0.87 MEN1 (0.44) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL9567016 0.85 CTSB (0.36) TDP1CTSBNOTUMSMN1; SMN2CRHR1
SCHEMBL2969894 0.85 TDP1 (0.34) TDP1CTSBNOTUMALDH1A1L3MBTL1
SCHEMBL44446 0.84 ALDH1A1 (0.38) TDP1CTSBNOTUMALDH1A1L3MBTL1

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
CN-113336711-B Synthesis method of butafenacil 江苏省农用激素工程技术研究中心有限公司 2022-04-08 CN disclosed