SCHEMBL28746485

SCHEMBL28746485

CCOCCOc1cc(C(F)(F)F)ccn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
NOS3 P29474 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ADRB2 P07550 1/20 0.37
MAPK1 P28482 1/20 0.36
NCF1 P14598 3/20 0.35
VCP P55072 1/20 0.35
HTR1A P08908 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL15471437 0.85 NOS3 (0.46) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL3149643 0.85 NOS3 (0.48) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL11327174 0.84 NCF1 (0.35) L3MBTL1NCF1
SCHEMBL19732851 0.79 NOS3 (0.50) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL3021877 0.79 NOS3 (0.46) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL15464568 0.77 ADRB2 (0.42) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL29423932 0.77 NOS3 (0.41) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL16829687 0.77 NOS3 (0.41) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL15465000 0.76 ADRB2 (0.41) L3MBTL1ALDH1A1GAANOS3NOS2
SCHEMBL18723259 0.76 NCF1 (0.38) ALDH1A1GAANPC1RAB9ANCF1

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-1319007-A Medical composition containing nitroetheneamine derivative or salt thereof as active constituent ISHIHARA SANGYO KAISHA (JP) 2001-10-24 CN disclosed