SCHEMBL7859072

SCHEMBL7859072

Nc1cnc2cc(O)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 2/20 0.46
▸ PLAU P00749 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDGFRB P09619 1/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ENPP2 Q13822 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MAPK10 P53779 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39

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
SCHEMBL14582923 0.79 ESR2 (0.48) ESR2PLAUGAAHTTL3MBTL1
SCHEMBL25911560 0.76 ESR2 (0.46) ESR2PLAUGAAHTTL3MBTL1
SCHEMBL1664655 0.76 ALDH1A1 (0.52) ESR2PLAUGAAHTTL3MBTL1
SCHEMBL2629410 0.76 ALDH1A1 (0.46) ESR2GAAHTTPDGFRBPDGFRA
SCHEMBL31731089 0.76 ALDH1A1 (0.46) ESR2GAAHTTPDGFRBPDGFRA
SCHEMBL1598483 0.76 BACE1 (0.57) PLAUHTTALDH1A1MEN1KMT2A
SCHEMBL6844962 0.76 NCK1 (0.55) L3MBTL1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL4725394 0.76 PIK3CG (0.53) PDGFRBPDGFRAMAPTPIK3CGDYRK1A
SCHEMBL29880393 0.76 BACE1 (0.55) PDGFRBPDGFRAALDH1A1MEN1KMT2A
SCHEMBL28044781 0.75 TLR9 (0.62) ESR2ALDH1A1MEN1KMT2AMAPT

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-6180632-B1 USE OF THESE COMPOUNDS FOR TREATING DISORDERS/CONDITIONS INVOLVING CELLULAR DIFFERENTIATION, PROLIFERATION, EXTRACELLULAR MATRIX PRODUCTION OR MEDIATOR RELEASE AND/OR T CELL ACTIVATION AND PROLIFERATION AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-01-30 — — US disclosed
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