SCHEMBL28082082

SCHEMBL28082082

CCOC(=O)C(C)Oc1c([N+](=O)[O-])ccc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CES2 O00748 1/20 0.37
ACHE P22303 1/20 0.37
CES1 P23141 1/20 0.37
SRD5A2 P31213 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
SCHEMBL28082084 1.00 L3MBTL1 (0.41) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL28082102 0.84 L3MBTL1 (0.46) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL28082101 0.84 L3MBTL1 (0.46) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL28082113 0.84 L3MBTL1 (0.46) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL18128242 0.83 SMN1; SMN2 (0.38) MAPTSMN1; SMN2TDP1ALDH1A1LMNA
SCHEMBL18342757 0.82 LMNA (0.46) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL28082062 0.81 MAPT (0.42) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL28082061 0.81 MAPT (0.42) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL7029965 0.80 TDP1 (0.41) L3MBTL1MAPTSMN1; SMN2MAPK1TDP1
SCHEMBL7022634 0.80 MMP2 (0.36) MAPTSMN1; SMN2MAPK1TDP1ALDH1A1

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
CN-105814054-A Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB生物制药私人有限公司 2016-07-27 CN disclosed