SCHEMBL7928062

SCHEMBL7928062

COC(=O)CCCCn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.47
EPHX2 P34913 1/20 0.47
KRAS P01116 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
HTR7 P34969 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
PLG P00747 1/20 0.41
PLAU P00749 1/20 0.41
AR P10275 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL8545929 0.92 KRAS (0.47) ALOX5EPHX2KRASMTNR1AMTNR1B
SCHEMBL9479096 0.90 HTR7 (0.53) ALOX5EPHX2MTNR1AMTNR1BHTR7
SCHEMBL7921048 0.85 KRAS (0.47) ALOX5EPHX2KRASHTR7PLG
SCHEMBL14876295 0.84 ATM (0.55) KRASMTNR1AMTNR1BMEN1KMT2A
SCHEMBL2872712 0.82 HTR7 (0.57) MTNR1AMTNR1BHTR7MEN1KMT2A
SCHEMBL10430002 0.81 PLG (0.46) KRASHTR7PLGPLAU
SCHEMBL7085455 0.81 MTNR1A (0.53) MTNR1AMTNR1BHTR7MEN1KMT2A
SCHEMBL6233916 0.81 MEN1 (0.43) KRASMEN1KMT2APLGPLAU
SCHEMBL6230447 0.80 PLG (0.46) KRASHTR7MAPTPLGPLAU
SCHEMBL7417377 0.80 MAPT (0.49) KRASMEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239159-B1 SUBSTRATES FOR POLYMERASE AND TERMINAL TRANSFERASE ENZYMES. CAPABLE OF BASE-PAIRING WITH A NUCLEOTIDE RESIDUE IN A COMPLEMENTARY CHAIN OR BASE STACKING IN THE APPROPRIATE NUCLEIC ACID CHAIN, ADVANTAGE OVER CONVENTIONAL HAPTEN AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2001-05-29 US disclosed
EP-0885235-A1 NUCLEOSIDE ANALOGUES Amersham Pharmacia Biotech UK Limited (GB) 1998-12-23 EP disclosed
WO-1997028176-A1 NUCLEOSIDE ANALOGUES AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 1997-08-07 WO disclosed