SCHEMBL14348284

SCHEMBL14348284

COc1nc(C(=O)Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.47
MYC P01106 2/20 0.44
MAX P61244 2/20 0.44
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
TXNRD1 Q16881 8/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
S1PR4 O95977 2/20 0.38
S1PR1 P21453 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PIN1 Q13526 1/20 0.38
JAK2 O60674 1/20 0.38
HSP90AA1 P07900 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GSR P00390 1/20 0.37
GFER P55789 2/20 0.37
PAX8 Q06710 2/20 0.37
LMNA P02545 1/20 0.37
RAF1 P04049 1/20 0.37

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
SCHEMBL4651273 0.86 MYC (0.53) MERTKMYCMAXALDH1A1HTT
SCHEMBL30068176 0.86 MYC (0.53) MERTKMYCMAXALDH1A1HTT
SCHEMBL4652551 0.84 MYC (0.44) MERTKMYCMAXALDH1A1HTT
SCHEMBL15507763 0.82 MYC (0.47) MERTKMYCMAXALDH1A1HTT
SCHEMBL30870967 0.82 MYC (0.47) MERTKMYCMAXALDH1A1HTT
SCHEMBL29231882 0.81 MYC (0.50) MERTKMYCMAXALDH1A1HTT
SCHEMBL31528961 0.79 MYC (0.45) MERTKMYCMAXALDH1A1HTT
SCHEMBL31326382 0.77 MYC (0.44) MERTKMYCMAXHTTTXNRD1
SCHEMBL26646950 0.77 TXNRD1 (0.42) MERTKMYCMAXALDH1A1HTT
SCHEMBL4653656 0.77 MYC (0.57) MERTKMYCMAXALDH1A1MAPT

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-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 US disclosed