SCHEMBL8927233

SCHEMBL8927233

CCCCOC(=O)Nc1c(C)ccnc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 11/20 0.48
NPC1 O15118 9/20 0.48
SMN1; SMN2 Q16637 9/20 0.48
HPGD P15428 6/20 0.48
CYP1A2 P05177 4/20 0.48
CYP2C19 P33261 4/20 0.48
CYP2C9 P11712 2/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MCL1 Q07820 1/20 0.48
GAA P10253 1/20 0.46
CASP1 P29466 1/20 0.45
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9356536 0.79 MAPK1 (0.63) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL31184802 0.75 L3MBTL1 (0.49) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL15348832 0.75 L3MBTL1 (0.51) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL1024875 0.74 MAPK1 (0.61) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL27736344 0.74 KDM4E (0.46) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4769837 0.73 GAA (0.53) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL4852614 0.73 NLRP3 (0.63) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL22208162 0.73 ALDH1A1 (0.49) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL28969405 0.72 MAPK1 (0.59) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL10239699 0.71 SMN1; SMN2 (0.54) L3MBTL1RAB9ANPC1SMN1; SMN2HPGD

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-5700940-A FOR PRE- OR POSTEMERGENCE SPRAYING OF PLANTS OR SOILS DOWELANCO (US) 1997-12-23 US disclosed