SCHEMBL16879705

SCHEMBL16879705

O=C(O)NNc1ncccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 5/20 0.56
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 1/20 0.50
ALDH1A1 P00352 3/20 0.47
PKM P14618 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL16879704 1.00 MAPT (0.56) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL11016312 0.85 MEN1 (0.63) MAPTRAB9ANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL11755337 0.81 NPC1 (0.60) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL6326856 0.79 POLB (0.52) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL6941009 0.79 MEN1 (0.57) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL19917189 0.78 SMN1; SMN2 (0.46) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL2256077 0.77 MAPT (0.62) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL1666596 0.77 MAPT (0.62) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL20603943 0.77 MAPT (0.65) MAPTRAB9ANPC1KMT2AMEN1
SCHEMBL9687003 0.76 LMNA (0.54) MAPTRAB9ANPC1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089966-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE Beaufour Ipsen Tianjin Pharmaceutical Co., Ltd (CN) 2016-11-09 EP disclosed
WO-2015100609-A1 NEW SUBSTITUTED BIPHENYL ANALOGUES AS DUAL INHIBITORS OF AROMATASE AND SULFATASE BEAUFOUR IPSEN TIANJIN PHARMACEUTICAL CO., LTD (CN) 2015-07-09 WO disclosed