SCHEMBL8098358

SCHEMBL8098358

CC(C)Cc1cccc(C(=O)Br)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.47
SLC7A5 Q01650 3/20 0.45
ANPEP P15144 1/20 0.45
ENPEP Q07075 1/20 0.45
MAP1LC3B Q9GZQ8 1/20 0.44
MAP1LC3A Q9H492 1/20 0.44
GAA P10253 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42

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
SCHEMBL10019208 0.87 FOLH1 (0.46) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL765921 0.85 FOLH1 (0.61) FOLH1ANPEPENPEP
SCHEMBL4054915 0.85 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL29478099 0.85 SLC7A5 (0.49) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL8100962 0.84 SLC7A5 (0.42) FOLH1SLC7A5ANPEPENPEP
SCHEMBL11335166 0.84 GSK3B (0.49) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL6844044 0.84 FOLH1 (0.55) FOLH1SLC7A5ANPEPENPEP
SCHEMBL8094952 0.84 FOLH1 (0.46) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL28403219 0.82 SLC7A5 (0.54) FOLH1SLC7A5ANPEPENPEPMAP1LC3B
SCHEMBL6072390 0.82 ATM (0.57) FOLH1SLC7A5HSD17B10GABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed