SCHEMBL7028100

SCHEMBL7028100

CC[C@@]1(c2ccc(C(=N)N)cc2)NC(=O)N(CC(=O)O)C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
TSHR P16473 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.46
CRHBP P24387 2/20 0.45
CRHR2 Q13324 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7028357 1.00 ITGB3 (0.48) ITGB3ITGA2BKMT2AGAATSHR
SCHEMBL7032233 0.85 HDAC6 (0.54) ITGB3ITGA2BKMT2ACYP2C19
SCHEMBL7033149 0.85 HDAC6 (0.54) ITGB3ITGA2BKMT2ACYP2C19
SCHEMBL7031835 0.82 ITGB3 (0.66) ITGB3ITGA2BKMT2ACYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL6700967 0.81 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL7969479 0.81 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19L3MBTL1
Hydrochloric Acid SCHEMBL6700973 0.81 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19L3MBTL1
SCHEMBL7032213 0.80 ITGB3 (0.48) ITGB3ITGA2BKMT2ACYP2C19MEN1
SCHEMBL7027895 0.80 ITGB3 (0.48) ITGB3ITGA2BKMT2ACYP2C19MEN1
SCHEMBL8475813 0.79 MEN1 (0.48) KMT2AGAATSHRCYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0823898-B1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AG (DE) 2003-02-26 EP disclosed
US-5939556-A Hydantoin compounds, salts thereof, processes for their preparation, and processes for preparing pharmaceutically active compounds comprising them HOECHST AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0823898-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-18 EP disclosed
WO-1996033976-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-31 WO disclosed