SCHEMBL4680006

SCHEMBL4680006

CC(C)[C@H]1OC[C@H](Nc2nnc(Cc3ccc(O)nc3)c3ccccc23)CO1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 13/20 0.35
▸ SMO Q99835 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ FLT1 P17948 5/20 0.33
▸ PDGFRB P09619 3/20 0.33
▸ KIT P10721 2/20 0.33
▸ NLRP3 Q96P20 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 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
SCHEMBL1930868 1.00 KDR (0.35) KDRSMOKDM4EHSD17B10FLT1
SCHEMBL1931638 0.87 KDR (0.41) KDRFLT1PDGFRBKITMEN1
SCHEMBL4834682 0.85 CYP11B1 (0.31) —
SCHEMBL4679265 0.84 KDM4E (0.40) KDRSMOKDM4EHSD17B10FLT1
SCHEMBL1931665 0.84 KDM4E (0.40) KDRSMOKDM4EHSD17B10FLT1
SCHEMBL4740445 0.83 KDR (0.33) KDRSMOFLT1PDGFRBKIT
SCHEMBL4740449 0.83 KDR (0.33) KDRSMOFLT1PDGFRBKIT
SCHEMBL1929839 0.71 KDR (0.42) KDRKDM4EHSD17B10FLT1PDGFRB
SCHEMBL4681363 0.69 KDR (0.42) KDRKDM4EHSD17B10FLT1PDGFRB
SCHEMBL1930948 0.69 KDR (0.42) KDRKDM4EHSD17B10FLT1PDGFRB

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
EP-1387836-B1 PHTHALAZINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2008-04-23 — — EP claimed
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