SCHEMBL7821797

SCHEMBL7821797

O=C1c2ccccc2-c2c1c(Cl)nc1ccc([N+](=O)[O-])cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
OPRK1 P41145 1/20 0.51
PTPRC P08575 2/20 0.48
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
CES1 P23141 1/20 0.48
S100A4 P26447 1/20 0.48
NPBWR1 P48145 1/20 0.45
MEN1 O00255 2/20 0.45
APEX1 P27695 1/20 0.45
ELANE P08246 2/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
IDO2 Q6ZQW0 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 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
SCHEMBL7818201 0.81 KDM4E (0.46) KMT2AS100A4MEN1IDO1TDO2
SCHEMBL6516391 0.79 PDE4B (0.43) KMT2APTPRCMEN1IDO1TDO2
SCHEMBL12781496 0.77 PABPC1 (0.47) KMT2AMEN1IDO1TDO2IDO2
SCHEMBL6598531 0.76 KMT2A (0.59) KMT2AOPRK1ACHES100A4NPBWR1
SCHEMBL7820175 0.75 TP53 (0.51) KMT2ABCHEACHEMEN1TDP1
SCHEMBL7818507 0.72 ELANE (0.46) KMT2ABCHEACHES100A4MEN1
SCHEMBL7820606 0.72 MEN1 (0.49) KMT2AMEN1ELANETDP1
SCHEMBL3732268 0.71 PABPC1 (0.47) KMT2AMEN1IDO1TDO2IDO2
SCHEMBL11822266 0.71 NPBWR1 (0.56) KMT2AOPRK1ACHENPBWR1MEN1
SCHEMBL31399874 0.71 EIF4A1 (0.51) KMT2AOPRK1NPBWR1MEN1ELANE

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
EP-0713870-B1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2001-07-18 EP disclosed
US-6028079-A FOR TREATING TUMOR OF MAMMAL TAIHO PHARMACEUTICAL CO., LTD (JP) 2000-02-22 US disclosed
US-5733918-A ANTITUMOR AGENT TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-03-31 US disclosed
US-5710162-A ANTITUMOR AGENTS TAIHO PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0713870-A1 NOVEL FUSED INDAN DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 1996-05-29 EP disclosed