SCHEMBL9874689

SCHEMBL9874689

COC1=C(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C(=O)C(C)(C)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PDE7A Q13946 1/20 0.37
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9872626 0.89 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL9874629 0.85 HPGD (0.42) SMN1; SMN2LMNAALDH1A1POLBNPC1
SCHEMBL9738873 0.83 ALDH1A1 (0.39) SMN1; SMN2LMNAALDH1A1NPC1RAB9A
SCHEMBL11301098 0.72 HPGD (0.59) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL9871935 0.72 SMN1; SMN2 (0.48) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL9873308 0.70 MAPT (0.43) SMN1; SMN2LMNAPOLBNPC1RAB9A
SCHEMBL1315721 0.69 TDP1 (0.59) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL848335 0.67 HPGD (0.56) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL29758067 0.67 HPGD (0.56) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL10385756 0.67 HPGD (0.42) SMN1; SMN2LMNAALDH1A1NPC1RAB9A

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-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 US disclosed