SCHEMBL6570940

SCHEMBL6570940

NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1N1CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MAPT P10636 4/20 0.44
CYP3A4 P08684 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
ALDH1A1 P00352 9/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 5/20 0.40
MEN1 O00255 3/20 0.40
ATM Q13315 1/20 0.38
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL366886 0.84 MAPT (0.52) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL6573663 0.79 KMT2A (0.57) KMT2AMAPTCYP3A4ALDH1A1SMN1; SMN2
SCHEMBL1535140 0.78 MAPT (0.52) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL3509039 0.74 MAPT (0.43) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL4934814 0.74 MAPT (0.55) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL15094493 0.73 MAPT (0.54) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL1625522 0.71 KMT2A (0.51) KMT2AMAPTALDH1A1SMN1; SMN2LMNA
SCHEMBL667585 0.71 TSHR (0.54) KMT2AMAPTCYP3A4BLMPMP22
SCHEMBL1455321 0.71 KMT2A (0.48) KMT2AMAPTCYP3A4PMP22ALDH1A1
SCHEMBL6571203 0.70 MAPT (0.54) KMT2AMAPTCYP3A4BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109550-B1 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2004-11-24 EP claimed
EP-1109550-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-27 EP claimed
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO claimed
EP-1109550-B1 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS AUCKLAND UNISERVICES LTD (NZ) 2004-11-24 EP disclosed
US-6517836-B1 Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes AUCKLAND UNISERVICES LIMITED (NZ) 2003-02-11 US disclosed
EP-1109550-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2001-06-27 EP disclosed
WO-2000013683-A2 NOVEL NITROPHENYLAZIRIDINE COMPOUNDS AND THEIR USE AS PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-16 WO disclosed