SCHEMBL3729308

SCHEMBL3729308

CCCOc1cc(C)nc(Cl)c1OC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ENPP1 P22413 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
S1PR4 O95977 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
FABP4 P15090 1/20 0.33

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
SCHEMBL3229764 0.80 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL3720948 0.76 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1MAPK1KMT2AHTT
SCHEMBL5588267 0.71 PPARG (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AHTT
SCHEMBL6262091 0.69 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL9236631 0.67 KDM4E (0.35) SMN1; SMN2ALDH1A1MAPK1MEN1KMT2A
SCHEMBL1178613 0.66 LMNA (0.42) SMN1; SMN2ALDH1A1MAPK1KMT2AHTT
SCHEMBL6233682 0.65 ALOX5 (0.40) MEN1KMT2A
SCHEMBL5588269 0.65 ESR1 (0.42) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL6257613 0.65 S1PR4 (0.39) SMN1; SMN2ALDH1A1HTTHCRTR1HCRTR2
SCHEMBL9874009 0.64 LMNA (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AHTT

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-2010078906-A2 HYDRAZIDES METHOD FOR PRODUCTION AND USE THEREOF AS HERBICIDE AND INSECTICIDE BAYER CROPSCIENCE AG (DE) 2010-07-15 WO disclosed