SCHEMBL468116

SCHEMBL468116

NCC(c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
AR P10275 1/20 0.46
RAB9A P51151 5/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL679480 0.80 MEN1 (0.52) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL16933159 0.80 MEN1 (0.52) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL467874 0.79 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL468063 0.79 MAPT (0.38) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL5646823 0.79 MAPT (0.55) MAPTMEN1KMT2APOLBSMN1; SMN2
Bromide SCHEMBL3919060 0.77 MAPT (0.45) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL468311 0.77 PTPRB (0.48) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL9984542 0.73 MAPT (0.61) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL14551142 0.73 MAPT (0.73) MAPTMEN1KMT2APOLBSMN1; SMN2
SCHEMBL8204965 0.73 LOXL2 (0.55) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
EP-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed