SCHEMBL7440503

SCHEMBL7440503

CCCC(Br)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
ALDH1A1 P00352 5/20 0.46
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
PHLPP2 Q6ZVD8 1/20 0.45
HSD17B10 Q99714 2/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 3/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
NPC1 O15118 1/20 0.43
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL3346342 0.85 ALDH1A1 (0.49) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL4787856 0.81 CNR1 (0.50) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL10608761 0.81 MAPT (0.49) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL15675484 0.80 TSHR (0.48) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL19788211 0.80 KCNJ1 (0.48) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL9026246 0.79 ALDH1A1 (0.50) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL31152637 0.79 ALDH1A1 (0.50) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL10607510 0.79 MAPT (0.47) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL20921368 0.79 ALDH1A1 (0.46) MAPTALDH1A1TSHRTDP1L3MBTL1
SCHEMBL4867981 0.79 ALDH1A1 (0.64) MAPTALDH1A1TSHRTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed
US-5332739-A Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-07-26 US disclosed
EP-0454498-A2 Pyrimidinedione derivatives and antiarrhythmic agents containing same MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-30 EP disclosed