SCHEMBL11094992

SCHEMBL11094992

CC(C)(C)C(=O)C(Cl)C(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
HSP90AA1 P07900 1/20 0.61
GPR55 Q9Y2T6 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 9/20 0.58
MEN1 O00255 7/20 0.58
POLB P06746 4/20 0.58
HTT P42858 3/20 0.58
DDX3X O00571 2/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.56
NPC1 O15118 1/20 0.56
NFKB1 P19838 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
PAX8 Q06710 1/20 0.54
BLM P54132 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
SCHEMBL11215471 0.86 SMN1; SMN2 (0.67) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL11735282 0.85 SMN1; SMN2 (0.61) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL27964933 0.83 KMT2A (0.69) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL3207627 0.80 KMT2A (0.78) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL3205682 0.80 SMN1; SMN2 (0.69) MAPTHSP90AA1SMN1; SMN2KMT2AMEN1
SCHEMBL3972854 0.80 KMT2A (0.63) MAPTHSP90AA1SMN1; SMN2KMT2AMEN1
SCHEMBL31185157 0.79 SMN1; SMN2 (0.68) MAPTSMN1; SMN2KMT2AMEN1POLB
SCHEMBL10346279 0.78 PDK1 (0.60) MAPTKMT2AMEN1POLBALDH1A1
SCHEMBL6159935 0.78 MAPT (0.68) MAPTHSP90AA1GPR55SMN1; SMN2POLB
SCHEMBL10692848 0.78 KMT2A (0.66) MAPTSMN1; SMN2KMT2AMEN1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0041170-B1 3-NITRO-PIVALOYL-ACETANILIDES, PROCESSES FOR THEIR PREPARATION AND THEIR UTILIZATION BAYER AG (DE) 1984-07-25 EP claimed
US-4370499-A CHEMICAL INTERMEDIATES FOR COLOR PHOTOGRAPHY BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 US claimed
EP-0041170-A1 3-Nitro-pivaloyl-acetanilides, processes for their preparation and their utilization BAYER AG (DE) 1981-12-09 EP claimed
EP-0041170-B1 3-NITRO-PIVALOYL-ACETANILIDES, PROCESSES FOR THEIR PREPARATION AND THEIR UTILIZATION BAYER AG (DE) 1984-07-25 EP disclosed
US-4370499-A CHEMICAL INTERMEDIATES FOR COLOR PHOTOGRAPHY BAYER AKTIENGESELLSCHAFT (DE) 1983-01-25 US disclosed
US-4356258-A AN ACYLACETANILIDE DERIVATIVE; IMAGE PRESERVATION KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1982-10-26 US disclosed
EP-0041170-A1 3-Nitro-pivaloyl-acetanilides, processes for their preparation and their utilization BAYER AG (DE) 1981-12-09 EP disclosed
EP-0041171-A1 2-Chloro-5-nitro-phenyl isocyanate, process for its preparation and its use BAYER AG (DE) 1981-12-09 EP disclosed