SCHEMBL7691909

SCHEMBL7691909

COc1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)c4ccc(OCc5ccccc5)c([N+](=O)[O-])c4)cc3)ccnc2c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.36
PDGFRA P16234 1/20 0.36
MET P08581 11/20 0.35
CYP3A4 P08684 1/20 0.35
PRKACG P22612 1/20 0.35
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
AURKA O14965 2/20 0.34
TEK Q02763 2/20 0.34
AURKB Q96GD4 1/20 0.34
ABCB1 P08183 1/20 0.34
IGF1R P08069 5/20 0.34
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL7691911 1.00 KDR (0.36) KDRPDGFRAMETCYP3A4PRKACG
SCHEMBL7688980 0.92 KDR (0.34) KDRPDGFRAMETMEN1MAPT
SCHEMBL7688979 0.92 KDR (0.34) KDRPDGFRAMETMEN1MAPT
SCHEMBL7691026 0.90 KDR (0.33) KDRPDGFRACYP3A4MEN1MAPT
SCHEMBL7691028 0.90 KDR (0.33) KDRPDGFRACYP3A4MEN1MAPT
SCHEMBL6491040 0.89 CTSV (0.33) KDRPDGFRAMETMEN1MAPT
SCHEMBL6491044 0.89 CTSV (0.33) KDRPDGFRAMETMEN1MAPT
SCHEMBL7688302 0.89 PDGFRA (0.37) KDRPDGFRAMETCYP3A4PRKACG
SCHEMBL7688304 0.89 PDGFRA (0.37) KDRPDGFRAMETCYP3A4PRKACG
SCHEMBL7036429 0.88 KMT2A (0.41) MEN1MAPTKMT2ACTSVCTSL

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-2002000622-A2 AMINOALCOHOL DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-03 WO disclosed