SCHEMBL6445351

SCHEMBL6445351

C=C(Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
ALDH1A1 P00352 6/20 0.47
GPR35 Q9HC97 2/20 0.47
TP53 P04637 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 5/20 0.46
CES2 O00748 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
THRB P10828 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
GAA P10253 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
SCHEMBL31016518 0.86 CYP1A2 (0.79) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL865986 0.84 CYP1A2 (1.00) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL3291900 0.84 CYP1A2 (1.00) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL1628292 0.81 ALDH1A1 (0.55) ALDH1A1HPGDTSHRSMN1; SMN2KMT2A
SCHEMBL6445564 0.80 CYP1A2 (0.47) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL9797804 0.80 CYP1A2 (0.73) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL11597118 0.80 CYP1A2 (0.73) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL19329494 0.78 CYP1A2 (0.70) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL3032854 0.78 CYP1A2 (0.71) CYP1A2ALDH1A1GPR35TP53HPGD
SCHEMBL19329660 0.77 CYP1A2 (0.69) CYP1A2ALDH1A1GPR35TP53HPGD

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-1146083-B1 USE OF A RESIN MATERIAL FOR ELECTRICAL INSULATING AND ELECTRIC WIRE AND CABLE USING THE SAME JAPAN POLYOLEFINS CO LTD (JP) 2005-01-05 EP disclosed
US-6479590-B1 Electrical insulating resin material, electrical insulating material, and electric wire and cable using the same JAPAN POLYOLEFINS CO., LTD. (JP) 2002-11-12 US disclosed
EP-1146083-A1 ELECTRICAL INSULATING RESIN MATERIAL, ELECTRICAL INSULATING MATERIAL, AND ELECTRIC WIRE AND CABLE USING THE SAME Japan Polyolefins Co., Ltd. (JP) 2001-10-17 EP disclosed