SCHEMBL13624587

SCHEMBL13624587

CONC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 6/20 0.64
ALDH1A1 P00352 5/20 0.64
GAA P10253 2/20 0.64
MAPK1 P28482 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.61
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
WDR5 P61964 2/20 0.59
HDAC1 Q13547 1/20 0.58
GFER P55789 1/20 0.55
PKM P14618 1/20 0.54
POLB P06746 1/20 0.54
CTPS1 P17812 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
SCHEMBL14189203 0.87 MAPT (0.57) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL8354095 0.87 MAPT (0.62) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL4289177 0.86 WDR5 (0.69) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL13624589 0.86 MAPT (0.70) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL5211922 0.84 ALDH1A1 (0.76) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL4290148 0.82 SMN1; SMN2 (0.73) SMN1; SMN2LMNAMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL4284845 0.81 SMN1; SMN2 (0.71) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL28845869 0.80 MAPT (0.62) SMN1; SMN2LMNAMAPTALDH1A1GAA
SCHEMBL4254513 0.80 TAAR1 (0.79) SMN1; SMN2MAPTALDH1A1GAAMAPK1
SCHEMBL17223430 0.80 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPTALDH1A1GAA

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-7615553-B2 E.g., N,N-dimethyl,((5-(hydroxyaminocarbonyl)pyrimidin-2-yl)(piperazin-1,4-ylene)sulfonamide; bioavailability; oral administration; metabolic stability; side effect reduction; psoriasis; anticarcinogenic -proliferative, -arthritic, -inflammatory agent; gene therapy; genetic transcription potentiation JANSSEN PHARMACEUTICA N.V. (BE) 2009-11-10 US disclosed