SCHEMBL10871685

SCHEMBL10871685

CC(=O)Nc1cc([N+](=O)[O-])cc(N)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 4/20 0.46
MAPT P10636 3/20 0.46
GPR35 Q9HC97 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
POLB P06746 2/20 0.42
HTT P42858 2/20 0.42
GAA P10253 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP19A1 P11511 1/20 0.41
THRB P10828 1/20 0.41

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
SCHEMBL2791838 0.86 GPR35 (0.54) SMN1; SMN2LMNAMAPTGPR35NPSR1
SCHEMBL4326710 0.82 SMN1; SMN2 (0.58) SMN1; SMN2MAPTHTTGAAHDAC3
SCHEMBL6354542 0.81 MAPT (0.56) SMN1; SMN2MAPTNPSR1HTTGAA
SCHEMBL4970698 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPTHTTGAACYP1A2
SCHEMBL9445618 0.75 SMN1; SMN2 (0.51) SMN1; SMN2LMNAMAPTGPR35NPSR1
SCHEMBL13997712 0.74 HDAC1 (0.42) SMN1; SMN2LMNAMAPTGPR35POLB
SCHEMBL9505815 0.73 POLB (0.55) SMN1; SMN2LMNAMAPTNPSR1POLB
SCHEMBL9360691 0.73 PDPK1 (0.56) SMN1; SMN2MAPTGPR35POLBGAA
SCHEMBL915213 0.72 MEN1 (0.64) SMN1; SMN2LMNAMAPTGPR35POLB
SCHEMBL427418 0.72 HTT (0.67) SMN1; SMN2LMNAMAPTPOLBHTT

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-4602961-A MONOAZO BENZOTHIAZOLE DERIVATIVES CIBA-GEIGY CORPORATION (US) 1986-07-29 US disclosed