SCHEMBL11526599

SCHEMBL11526599

CCCCNS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA2 P00918 4/20 0.51
CA1 P00915 3/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALOX12 P18054 2/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
MGLL Q99685 1/20 0.47
RAB9A P51151 1/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RECQL P46063 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
SCHEMBL4091384 0.80 ALDH1A1 (0.64) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL19798391 0.78 CA1 (0.55) MAPTALDH1A1CA2CA1MEN1
SCHEMBL9651956 0.78 MAPT (0.68) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL27902168 0.76 CA2 (0.62) MAPTALDH1A1SMN1; SMN2CA2CA1
SCHEMBL7546533 0.76 CA12 (0.48) MAPTALDH1A1CA2CA1ALOX12
SCHEMBL28153544 0.75 HDAC3 (0.60) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL10571075 0.75 ALDH1A1 (0.61) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1046139 0.73 MAPT (0.66) MAPTALDH1A1LMNAHTTSMN1; SMN2
Hexane SCHEMBL27947797 0.73 ALDH1A1 (0.78) MAPTALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1916448 0.72 CA2 (0.67) MAPTALDH1A1LMNAHTTSMN1; SMN2

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-4153413-A DYEING POLYESTER OR CELLULOSE TRIACETATE WITH A DISPERSE AZO DYESTUFF, HEAT TREATMENT, PADDING, PRINTING IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-05-08 US disclosed