SCHEMBL7686800

SCHEMBL7686800

O=[N+]([O-])c1ccc2c(Oc3ccc(C[C@@H](CO)N(Cc4ccccc4)C[C@H](O)COc4ccccc4)cc3)ccnc2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
GAA P10253 3/20 0.39
ALDH1A1 P00352 6/20 0.37
PDGFRA P16234 2/20 0.36
KDR P35968 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
DRD4 P21917 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.34
MAPK1 P28482 2/20 0.34
PKM P14618 1/20 0.34
EGFR P00533 1/20 0.34
MAPT P10636 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7686564 0.87 LPAR1 (0.43) ADRB1ADRB3ALDH1A1POLBMAPT
SCHEMBL7692498 0.87 LPAR1 (0.39) GAAALDH1A1PDGFRAKDRMEN1
SCHEMBL6487652 0.87 ALDH1A1 (0.43) ADRB1ADRB3ALDH1A1KDRMEN1
SCHEMBL6488702 0.86 LPAR1 (0.39) GAAALDH1A1KDRMEN1KMT2A
SCHEMBL7689867 0.85 PDGFRA (0.36) ADRB1ADRB3ALDH1A1PDGFRAKDR
SCHEMBL7689864 0.85 PDGFRA (0.36) ADRB1ADRB3ALDH1A1PDGFRAKDR
SCHEMBL7692913 0.84 LPAR1 (0.39) ALDH1A1MEN1KMT2ALMNAPOLB
SCHEMBL7692473 0.84 MET (0.38) ALDH1A1PDGFRAKDRMEN1KMT2A
SCHEMBL6539970 0.84 GAA (0.51) ADRB1ADRB3GAAALDH1A1MEN1
SCHEMBL6478360 0.83 MAPT (0.39) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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