SCHEMBL10651255

SCHEMBL10651255

[CH]c1cc(N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
MAPT P10636 15/20 0.67
ALDH1A1 P00352 9/20 0.67
CYP1A2 P05177 3/20 0.67
CYP2C19 P33261 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
LMNA P02545 2/20 0.65
CYP2C9 P11712 2/20 0.62
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MAPK1 P28482 3/20 0.58
CYP3A4 P08684 1/20 0.57
POLB P06746 1/20 0.54
MEN1 O00255 1/20 0.53

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
SCHEMBL10651251 1.00 HPGD (0.68) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL25855470 0.85 HPGD (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3536564 0.82 MAPT (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL22094933 0.82 MAPT (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL40059 0.81 HPGD (0.68) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL21066338 0.81 MAPT (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL8074050 0.81 LMNA (0.97) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL30416098 0.81 HPGD (0.68) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL3837554 0.81 HPGD (1.00) HPGDMAPTALDH1A1CYP1A2CYP2C19
SCHEMBL12478410 0.81 MAPT (0.73) HPGDMAPTALDH1A1CYP1A2CYP2C19

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
EP-0252503-A1 Aminoimidazoquinoline derivatives Bristol-Myers Squibb Company (US) 1988-01-13 EP disclosed