SCHEMBL6573702

SCHEMBL6573702

O=C(NCCn1ccnc1)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.59
ALDH1A1 P00352 5/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.58
MAPK1 P28482 1/20 0.58
CYP19A1 P11511 1/20 0.50
CYP3A4 P08684 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
LMNA P02545 2/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLR1A O95602 1/20 0.40

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
SCHEMBL6573507 0.84 CYP19A1 (0.53) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL6569993 0.78 LMNA (0.68) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL6570808 0.75 MAPT (0.54) MAPTALDH1A1L3MBTL1KMT2ACYP3A4
SCHEMBL6572262 0.74 SMN1; SMN2 (0.69) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL6573527 0.73 SMN1; SMN2 (0.65) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL366651 0.71 MAPT (0.55) MAPTALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL14552409 0.71 CYP19A1 (0.60) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL7038359 0.71 MAPT (0.64) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL11120951 0.69 MAPT (0.74) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1
SCHEMBL10657230 0.68 ALDH1A1 (0.69) MAPTALDH1A1L3MBTL1SMN1; SMN2MEN1

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
US-6517836-B1 Aziridin-1-yl nitrobenzamides as prodrugs in conjunction with nitroreductase enzymes AUCKLAND UNISERVICES LIMITED (NZ) 2003-02-11 US 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