SCHEMBL29953405

SCHEMBL29953405

O=Cc1cnc2cc(O)ccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.54
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ALDH5A1 P51649 1/20 0.42
ABAT P80404 1/20 0.42
RAB9A P51151 5/20 0.41
KDM4E B2RXH2 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 2/20 0.36
TTR P02766 1/20 0.35
PTGS2 P35354 1/20 0.34
ERN1 O75460 1/20 0.34
GAA P10253 2/20 0.34
MAOB P27338 2/20 0.34
TP53 P04637 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
SCHEMBL2446728 1.00 ESR2 (0.54) ESR2PDGFRBPDGFRAALDH1A1KMT2A
SCHEMBL15684790 0.86 MAP4K4 (0.42) ESR2PDGFRBPDGFRAKMT2AALDH5A1
SCHEMBL9797715 0.83 PDGFRB (0.42) PDGFRBPDGFRAALDH1A1KMT2ARAB9A
Formamide SCHEMBL9730938 0.82 PDGFRB (0.48) ESR2PDGFRBPDGFRAALDH1A1KMT2A
SCHEMBL9730933 0.81 ALDH1A1 (0.49) ESR2PDGFRBPDGFRAALDH1A1KMT2A
SCHEMBL13510928 0.79 PDGFRB (0.50) PDGFRBPDGFRAALDH1A1RAB9AKDM4E
SCHEMBL6769737 0.79 EGFR (0.49) PDGFRBPDGFRAALDH1A1KMT2AMEN1
SCHEMBL554880 0.79 ALDH1A1 (0.50) PDGFRBPDGFRAALDH1A1KMT2ARAB9A
SCHEMBL15941521 0.79 PDGFRB (0.47) ESR2PDGFRBPDGFRAALDH1A1KMT2A
SCHEMBL29953198 0.79 RAB9A (0.47) ESR2PDGFRBPDGFRAALDH1A1KMT2A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed