SCHEMBL9501514

SCHEMBL9501514

CC(=O)N1C(C)(C)CC(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1(C)C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX5 P09917 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
VCAM1 P19320 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.45
POLB P06746 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
SCHEMBL9501495 0.83 MEN1 (0.65) ALDH1A1ALOX5HSP90AA1HPGDVCAM1
SCHEMBL9501505 0.82 MEN1 (0.48) KMT2AMEN1LMNASMN1; SMN2KDM4E
SCHEMBL2224151 0.80 VCAM1 (0.65) ALDH1A1ALOX5HSP90AA1HPGDVCAM1
SCHEMBL13753629 0.73 VCAM1 (0.57) ALDH1A1HSP90AA1HPGDVCAM1KMT2A
SCHEMBL10916044 0.72 VCAM1 (0.64) ALDH1A1HSP90AA1HPGDVCAM1KMT2A
SCHEMBL7973732 0.71 VCAM1 (0.68) ALDH1A1HSP90AA1HPGDVCAM1KMT2A
SCHEMBL7038879 0.70 GLA (0.70) KMT2AMEN1POLB
SCHEMBL27967569 0.70 VCAM1 (0.70) ALDH1A1HSP90AA1HPGDVCAM1KMT2A
SCHEMBL30811551 0.70 VCAM1 (0.74) ALDH1A1HSP90AA1HPGDVCAM1KMT2A
SCHEMBL239454 0.70 VCAM1 (0.74) ALDH1A1HSP90AA1HPGDVCAM1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241419-B1 PIGMENTS CONTAINING PIPERIDYL GROUPS SANDOZ AG (CH) 1993-05-19 EP disclosed
US-4866113-A COLORING POLYMERS SANDOZ LTD. (CH) 1989-09-12 US disclosed
US-4838943-A Compounds useful as pigments containing one or more 2,2,6,6-tetraalkylpiperidine groups SANDOZ LTD. (CH) 1989-06-13 US disclosed
EP-0241419-A2 Pigments containing piperidyl groups SANDOZ AG (CH) 1987-10-14 EP disclosed