SCHEMBL5070842

SCHEMBL5070842

Cc1c(/C=N\O)c2ccccc2n1-c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GAA P10253 4/20 0.41
GFER P55789 2/20 0.41
LMNA P02545 4/20 0.40
HTT P42858 4/20 0.40
ALOX15 P16050 2/20 0.40
MAPT P10636 5/20 0.40
HPGD P15428 4/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RORC P51449 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL5068725 1.00 TSHR (0.42) TSHRGAAGFERLMNAHTT
SCHEMBL5068732 1.00 TSHR (0.42) TSHRGAAGFERLMNAHTT
SCHEMBL5068723 0.85 GAA (0.46) GAAGFERLMNAHTTALOX15
SCHEMBL14319936 0.84 TSHR (0.39) TSHRGAAGFERLMNAHTT
SCHEMBL22310449 0.82 GAA (0.43) GAAGFERLMNAHTTALOX15
SCHEMBL5066619 0.82 PTGS2 (0.38) TSHRGAAGFERLMNAHTT
SCHEMBL5066614 0.82 PTGS2 (0.38) TSHRGAAGFERLMNAHTT
SCHEMBL5068717 0.82 PTGS2 (0.38) TSHRGAAGFERLMNAHTT
SCHEMBL5068271 0.81 NPC1 (0.47) TSHRGAALMNAMAPTMEN1
SCHEMBL5068274 0.81 NPC1 (0.47) TSHRGAALMNAMAPTMEN1

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-1653947-B1 (4-HYDROXYPHENYL)-1H-INDOLE-3-CARBALDEHYDE OXIME DERIVATIVES AS ESTROGENIC AGENTS WYETH CORP (US) 2008-01-16 EP claimed