SCHEMBL8964829

SCHEMBL8964829

COc1ccc([N+](=O)[O-])cc1Cc1cc([N+](=O)[O-])ccc1OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
HTT P42858 4/20 0.59
ALDH1A1 P00352 9/20 0.56
KMT2A Q03164 5/20 0.56
HPGD P15428 4/20 0.56
LMNA P02545 3/20 0.56
APOBEC3A P31941 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
LCK P06239 1/20 0.53
MAPT P10636 6/20 0.52
CYP19A1 P11511 1/20 0.51
PTGS2 P35354 1/20 0.51
MEN1 O00255 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51

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
SCHEMBL8973475 0.89 TDP1 (0.62) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL2835652 0.87 MAPT (0.57) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL4652150 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL922726 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL3749823 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL3749821 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL30780913 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL18216619 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL215804 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD
SCHEMBL29560265 0.86 TDP1 (0.58) TDP1HTTALDH1A1KMT2AHPGD

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-0693094-A1 HIGH IMPACT POLYESTER/POLYCARBONATE BLENDS AlliedSignal Inc. (US) 1996-01-24 EP disclosed
WO-1994022955-A1 HIGH IMPACT POLYESTER/POLYCARBONATE BLENDS ALLIEDSIGNAL INC. (US) 1994-10-13 WO disclosed
US-5283285-A Comprising an amine functionalized elastomer, a graft coupling agent; molding materials for sport, technical, household equipement; heat and chemical resistance ALLIEDSIGNAL INC. (US) 1994-02-01 US disclosed