SCHEMBL2480455

SCHEMBL2480455

O=C(Oc1ccc([N+](=O)[O-])cc1)c1c[nH]c2ccc(Oc3cc(COCc4ccccc4)ncn3)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 5/20 0.44
GABRD O14764 5/20 0.44
GABRA1 P14867 5/20 0.44
GABRB1 P18505 5/20 0.44
GABRG2 P18507 5/20 0.44
GABRB3 P28472 5/20 0.44
GABRA5 P31644 5/20 0.44
GABRA3 P34903 5/20 0.44
GABRA2 P47869 5/20 0.44
GABRB2 P47870 5/20 0.44
GABRA4 P48169 5/20 0.44
GABRE P78334 5/20 0.44
GABRA6 Q16445 5/20 0.44
GABRG1 Q8N1C3 5/20 0.44
GABRG3 Q99928 5/20 0.44
GABRQ Q9UN88 5/20 0.44
MAPT P10636 2/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
NR4A2 P43354 1/20 0.39

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
SCHEMBL2790744 0.85 ALDH1A1 (0.47) MAPTKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2792533 0.76 KDR (0.42) FAAH
SCHEMBL2479519 0.74 TRPM8 (0.44) MAPTKDM4E
SCHEMBL2788711 0.72 HTT (0.47) MAPTNR4A2KDM4EALDH1A1
SCHEMBL2793572 0.72 PRKAB2 (0.46) MAPTNR4A2KDM4EALDH1A1
SCHEMBL2788714 0.71 HTT (0.46) MAPTNR4A2ALDH1A1
SCHEMBL2787585 0.70 LOXL2 (0.46) MAPTNR4A2ALDH1A1HPGDSMN1; SMN2
SCHEMBL2791821 0.70 HTT (0.46) MAPTNR4A2
SCHEMBL2788876 0.69 HTT (0.45) MAPTNR4A2KDM4EALDH1A1
SCHEMBL3693815 0.68 KDR (0.49)

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-2376478-A2 PYRIDYLOXYINDOLES INHIBITORS OF VEGF-R2 AND USE THEREOF FOR TREATMENT OF DISEASE Novartis AG (CH) 2011-10-19 EP disclosed
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 WO disclosed