SCHEMBL9788472

SCHEMBL9788472

CCOC(=O)c1cccc(Oc2c(Cl)cc(C(F)(F)F)cc2[N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
GAA P10253 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TTR P02766 1/20 0.44
PPOX P50336 1/20 0.44
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
VDR P11473 1/20 0.43
PPARD Q03181 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL9788482 0.93 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9788460 0.86 MEN1 (0.51) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9788483 0.83 KIF11 (0.48) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9788475 0.81 KIF11 (0.45) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9788477 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL9788478 0.80 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL14879819 0.79 MAPT (0.52) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL10617148 0.78 MRGPRX4 (0.41) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL10802403 0.78 TDP1 (0.52) SMN1; SMN2ALDH1A1KMT2ALMNAMEN1
SCHEMBL11849798 0.76 MRGPRX4 (0.54) SMN1; SMN2KMT2ALMNAMEN1POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US claimed
US-5026895-A For cultivated plants BUDAPESTI VEGYIMUVEK (HU) 1991-06-25 US disclosed