SCHEMBL3892933

SCHEMBL3892933

O=C(Nc1ccc(-c2ccc(C(=O)NC3CN4CCC3CC4)o2)cc1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.89
POLB P06746 3/20 0.89
KMT2A Q03164 8/20 0.56
MAPT P10636 7/20 0.56
MEN1 O00255 7/20 0.55
NPC1 O15118 5/20 0.54
THRB P10828 1/20 0.53
CHRNA7 P36544 4/20 0.50
LMNA P02545 4/20 0.48
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
STAT1 P42224 1/20 0.45
RECQL P46063 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7062806 0.94 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL3898882 0.94 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL3905397 0.93 ALDH1A1 (0.85) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL3901126 0.87 ALDH1A1 (0.67) ALDH1A1POLBMAPTCHRNA7LMNA
SCHEMBL3896701 0.86 ALDH1A1 (0.66) ALDH1A1POLBKMT2AMEN1CHRNA7
SCHEMBL3900093 0.86 ALDH1A1 (0.66) ALDH1A1POLBCHRNA7
SCHEMBL7057984 0.85 ALDH1A1 (0.81) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL3906914 0.83 ALDH1A1 (0.63) ALDH1A1POLBCHRNA7
SCHEMBL4205819 0.83 ALDH1A1 (0.78) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL4201218 0.83 ALDH1A1 (0.78) ALDH1A1POLBKMT2AMAPTMEN1

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-7514450-B2 Azabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2009-04-07 US claimed
US-7514450-B2 Azabicyclic aryl derivatives NEUROSEARCH A/S (DK) 2009-04-07 US disclosed