SCHEMBL7051362

SCHEMBL7051362

Cc1[nH]c(C(=O)O)nc1C[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
PIN1 Q13526 1/20 0.34
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
PTPRB P23467 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
RAB9A P51151 1/20 0.30

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
SCHEMBL5310322 0.74 LMNA (0.37) LMNAPIN1MAPTKDM4ECYP3A4
SCHEMBL3318225 0.68 LMNA (0.45) LMNAPIN1KDM4ECYP3A4CYP2C9
SCHEMBL27882640 0.66 PIN1 (0.52) LMNAPIN1KDM4ECYP3A4CYP2C9
SCHEMBL6187482 0.65 LMNA (0.42) LMNAPIN1KDM4ECYP3A4CYP2C9
SCHEMBL2822546 0.65 KDM4E (0.50) LMNAPIN1KDM4ECYP3A4CYP2C9
SCHEMBL5310539 0.63 LMNA (0.34) LMNAPIN1MAPTKDM4ECYP3A4
SCHEMBL4021901 0.61 KDM4E (0.34) LMNAMAPTKDM4EALDH1A1
SCHEMBL2825421 0.61 NOTUM (0.41) LMNAPIN1MAPTKDM4ECYP3A4
SCHEMBL667466 0.61 LMNA (0.38) LMNAPIN1MAPTKDM4ECYP3A4
SCHEMBL14072064 0.60 ALDH1A1 (0.39) LMNAPIN1MAPTKDM4ECYP2C9

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
WO-2003020877-A2 STAINING AND SORTING GENOMES AND CHROMOSOMES USING SEQUENCE-SPECIFIC POLYAMIDES PHARMACIA CORPORATION (US) 2003-03-13 WO disclosed