SCHEMBL7688979

SCHEMBL7688979

O=[N+]([O-])c1cc([C@@H](O)CN(Cc2ccccc2)[C@H](CO)Cc2ccc(Oc3ccnc4cc(F)ccc34)cc2)ccc1OCc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.34
PDGFRA P16234 1/20 0.34
CTSV O60911 3/20 0.33
CTSL P07711 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
MAPT P10636 3/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 2/20 0.32
MET P08581 2/20 0.32
AXL P30530 1/20 0.32
MERTK Q12866 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 2/20 0.32

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
SCHEMBL7688980 1.00 KDR (0.34) KDRPDGFRACTSVCTSLLPAR1
SCHEMBL6491044 0.95 CTSV (0.33) KDRPDGFRACTSVCTSLLPAR1
SCHEMBL6491040 0.95 CTSV (0.33) KDRPDGFRACTSVCTSLLPAR1
SCHEMBL7691909 0.92 KDR (0.36) KDRPDGFRACTSVCTSLMAPT
SCHEMBL7691911 0.92 KDR (0.36) KDRPDGFRACTSVCTSLMAPT
SCHEMBL7691026 0.92 KDR (0.33) KDRPDGFRAMAPTMEN1NPC1
SCHEMBL7691028 0.92 KDR (0.33) KDRPDGFRAMAPTMEN1NPC1
SCHEMBL7692701 0.89 LPAR1 (0.33) KDRPDGFRALPAR1LPAR5MET
SCHEMBL7692700 0.89 LPAR1 (0.33) KDRPDGFRALPAR1LPAR5MET
SCHEMBL6478658 0.85 MEN1 (0.39) CTSVCTSLMAPTALDH1A1MEN1

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