SCHEMBL9307563

SCHEMBL9307563

C=CCN(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ESR1 P03372 4/20 0.42
CA2 P00918 2/20 0.37
ALDH5A1 P51649 1/20 0.37
ABAT P80404 1/20 0.37
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
ESR2 Q92731 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PEPD P12955 1/20 0.33
MPO P05164 1/20 0.33
CYP3A4 P08684 1/20 0.33
KDM5A P29375 1/20 0.33
BLM P54132 1/20 0.33
GFER P55789 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL327647 0.84 TSHR (0.50) TSHRESR1ALDH1A1MEN1KMT2A
SCHEMBL10326109 0.82 TSHR (0.46) TSHRESR1ALDH5A1ABATOPRM1
SCHEMBL7575874 0.79 ALDH1A1 (0.47) TSHRESR1CA2ESR2ALDH1A1
SCHEMBL10457933 0.79 ALDH1A1 (0.45) TSHRALDH1A1MEN1KMT2AGFER
SCHEMBL28637636 0.77 TSHR (0.70) TSHRESR1ESR2ALDH1A1MEN1
SCHEMBL28622502 0.77 TP53 (0.49) TSHRESR1ESR2MEN1KMT2A
SCHEMBL3395276 0.74 TSHR (0.43) TSHRESR1ESR2KDM4E
SCHEMBL3282238 0.74 CA2 (0.41) ESR1CA2ESR2ALDH1A1
SCHEMBL1018958 0.72 ESR1 (0.45) ESR1CA2ALDH5A1ABATOPRM1
SCHEMBL11876205 0.72 KMT2A (0.48) ALDH1A1MEN1KMT2ACYP3A4KDM4E

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-5362615-A Stabilizer AGFA AG (DE) 1994-11-08 US disclosed