SCHEMBL10944821

SCHEMBL10944821

CSCc1cccc(C(F)(F)F)c1NC(=O)CCl

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
POLB P06746 3/20 0.40
PTGS2 P35354 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GSTO1 P78417 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAP2K7 O14733 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10668835 0.86 SMN1; SMN2 (0.48) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL10797916 0.85 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL10945726 0.82 SMN1; SMN2 (0.43) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL10348347 0.79 PARP1 (0.49) L3MBTL1SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL11036856 0.79 L3MBTL1 (0.42) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL10944320 0.76 L3MBTL1 (0.40) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL4011328 0.74 POLB (0.56) SMN1; SMN2HPGDPOLBALDH1A1GAA
SCHEMBL7223947 0.73 SMN1; SMN2 (0.49) L3MBTL1SMN1; SMN2HPGDPOLBTDP1
SCHEMBL10960660 0.73 PTGS2 (0.44) L3MBTL1SMN1; SMN2HPGDPOLBPTGS2
SCHEMBL4006020 0.72 POLB (0.65) L3MBTL1SMN1; SMN2HPGDPOLBALDH1A1

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
US-4493755-A Electrolytic preparation of orthoalkyl-2-halo-N-acylanilides MONSANTO COMPANY (US) 1985-01-15 US disclosed