SCHEMBL2790744

SCHEMBL2790744

O=C(O)c1c[nH]c2ccc(Oc3cc(COCc4ccccc4)ncn3)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MDH2 P40926 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 3/20 0.42
PLA2G2A P14555 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
MAP2K7 O14733 1/20 0.42
HTT P42858 1/20 0.41
KIF20A O95235 1/20 0.41
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 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
SCHEMBL2480455 0.85 GABRP (0.44) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT
SCHEMBL2788711 0.85 HTT (0.47) ALDH1A1MEN1KMT2AHTTPRKAB2
SCHEMBL2793572 0.85 PRKAB2 (0.46) ALDH1A1MEN1KMT2AHTTPRKAB2
SCHEMBL2788714 0.84 HTT (0.46) ALDH1A1MEN1KMT2AHTTPRKAB2
SCHEMBL2479519 0.83 TRPM8 (0.44) LTA4HPLA2G2AMEN1KMT2AHSP90AA1
SCHEMBL2791821 0.83 HTT (0.46) MEN1KMT2AMAP2K7HTTPRKAB2
SCHEMBL2787585 0.83 LOXL2 (0.46) ALDH1A1HPGDMDH2SMN1; SMN2MEN1
SCHEMBL3693815 0.81 KDR (0.49) MAP2K7
SCHEMBL2789507 0.81 HTT (0.46) ALDH1A1MEN1KMT2AHTTPRKAB2
SCHEMBL2484090 0.81 HTT (0.46) MEN1KMT2AHTTPOLBPRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010066684-A2 Pyridyloxyindoles Inhibitors of VEGF-R2 and Use Thereof for Treatment of Disease NOVARTIS AG (CH) 2010-06-17 WO disclosed