SCHEMBL2367654

SCHEMBL2367654

O=[N+]([O-])c1ccc2nc3cc(O)c(O)cc3nc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1B2 O75343 1/20 0.62
GUCY1A2 P33402 1/20 0.62
GUCY1A1 Q02108 1/20 0.62
GUCY1B1 Q02153 1/20 0.62
CYP1A2 P05177 1/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
ALDH1A1 P00352 3/20 0.53
GPR35 Q9HC97 2/20 0.53
TSHR P16473 2/20 0.53
TP53 P04637 1/20 0.53
HPGD P15428 1/20 0.53
MAPK1 P28482 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ERN1 O75460 1/20 0.53
GAA P10253 1/20 0.52
THRB P10828 1/20 0.52
RHOA P61586 2/20 0.50
TDP1 Q9NUW8 3/20 0.49

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
SCHEMBL1259529 0.86 GUCY1B2 (0.59) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL15197892 0.84 CYP1A2 (0.58) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL1259501 0.81 CYP1A2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL1770090 0.81 SMN1; SMN2 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL31399941 0.81 CYP1A2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL10928797 0.81 CYP1A2 (0.55) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL19144359 0.81 TDP1 (0.56) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL16309117 0.79 SMN1; SMN2 (0.54) GUCY1B2GUCY1A2GUCY1A1GUCY1B1CYP1A2
SCHEMBL17598037 0.77 GUCY1B2 (1.00) GUCY1B2GUCY1A2GUCY1A1GUCY1B1ALDH1A1
4-Nitrocatechol SCHEMBL156909 0.77 TSHR (0.69) CYP1A2ALDH1A1GPR35TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP claimed
WO-2011117830-A1 DERIVATIVES OF PHENAZINE USEFUL TO TREAT CANCER Université de la Méditerranée AIX-Marseille II (FR) 2011-09-29 WO disclosed
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP disclosed
EP-2368885-A1 Derivatives of phenazine useful to treat cancer Université de la Méditerranée (Aix-Marseille II) (FR) 2011-09-28 EP disclosed