SCHEMBL7603979

SCHEMBL7603979

C=CCc1cc([N+](=O)[O-])ccc1OC(=O)Oc1ccc([N+](=O)[O-])cc1CC=C

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
ALOX5 P09917 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.41
PTGDR Q13258 1/20 0.41
MAPT P10636 2/20 0.41
ELANE P08246 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7603982 0.90 MEN1 (0.46) MEN1KMT2ATDP1POLBALOX5
SCHEMBL7603981 0.90 MEN1 (0.46) MEN1KMT2ATDP1POLBALOX5
SCHEMBL14375288 0.85 POLB (0.45) MEN1KMT2ATDP1POLBALOX5
SCHEMBL4301056 0.85 MEN1 (0.45) MEN1KMT2ATDP1POLBGABRA1
SCHEMBL3958628 0.82 GABRA1 (0.55) MEN1KMT2ATDP1POLBALOX5
SCHEMBL5492543 0.82 ALDH1A1 (0.46) MEN1KMT2ATDP1POLBPTGDR2
SCHEMBL2995971 0.81 CYP1A2 (0.42) MEN1KMT2ATDP1PTGDR2MAPT
SCHEMBL2993623 0.81 RAB9A (0.47) MEN1KMT2ATDP1PTGDR2MAPT
SCHEMBL7104071 0.80 ALDH1A1 (0.41) MEN1KMT2ATDP1POLBPTGDR2
SCHEMBL8391718 0.79 ALDH1A1 (0.38) MEN1KMT2ATDP1PTGDR2MAPT

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
EP-0624377-B1 Lysosomal enzyme-cleavable antitumor drug conjugates BRISTOL MYERS SQUIBB CO (US) 2002-01-23 EP disclosed
US-6214345-B1 ANTITUMOR AGENTS; DRUG CONJUGATES WHICH ARE SELECTIVELY ACTIVATIBLE AT THE SITE OF THE TUMOR BRISTOL-MYERS SQUIBB CO. 2001-04-10 US disclosed
EP-0624377-A2 Lysosomal enzyme-cleavable antitumor drug conjugates Bristol-Myers Squibb Company (US) 1994-11-17 EP disclosed