SCHEMBL8312040

SCHEMBL8312040

CCOS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
MAPK1 P28482 6/20 0.54
HIF1A Q16665 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
TDP1 Q9NUW8 4/20 0.50
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 6/20 0.45
KDM4E B2RXH2 1/20 0.45
GUSB P08236 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
TXNRD1 Q16881 1/20 0.44

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
SCHEMBL28823527 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL29195068 0.85 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL11817089 0.84 ALDH1A1 (0.52) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL4450405 0.83 ALDH1A1 (0.55) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL2635851 0.82 ALDH1A1 (0.51) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL28662918 0.81 HTT (0.47) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL27847548 0.81 PTGS2 (0.47) ALDH1A1CYP3A4KMT2AMEN1MAPT
SCHEMBL3807101 0.81 ALDH1A1 (0.50) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4
SCHEMBL8712210 0.79 KMT2A (0.59) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL12377069 0.78 ALDH1A1 (0.56) ALDH1A1MAPK1HIF1ACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1051077-C Process for preparing benzo[c] phenanthridinium derivatives and compounds prepared by said process NIPPON KAYAKU KK (JP) 2000-04-05 CN disclosed
EP-0487930-B1 Benzo[C]phenanthridinium derivatives NIPPON KAYAKU KK (JP) 1999-03-24 EP disclosed
US-5747502-A ANTITUMOR AGENTS, ANTIGROWTH AGENTS AND ANTICARCINOGENIC AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1998-05-05 US disclosed
CN-1061964-A The preparation method of benzo [C] phenanthridines  derivative and the new compound for preparing with described method NIPPON KAYAKU KK (JP) 1992-06-17 CN disclosed
EP-0487930-A1 Process for preparing benzo[C]phenanthridinium derivatives, and novel compounds prepared by said process NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-06-03 EP disclosed