SCHEMBL7032233

SCHEMBL7032233

N=C(N)c1ccc([C@@]2(Cc3ccccc3)NC(=O)N(CC(=O)O)C2=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.54
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 2/20 0.43

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
SCHEMBL7033149 1.00 HDAC6 (0.54) HDAC6ITGB3ITGA2BATMTDP1
SCHEMBL7028100 0.85 ITGB3 (0.48) ITGB3ITGA2BKMT2ACYP2C19
SCHEMBL7028357 0.85 ITGB3 (0.48) ITGB3ITGA2BKMT2ACYP2C19
SCHEMBL8480854 0.80 HDAC6 (0.47) HDAC6ATMTDP1KMT2ACYP2C19
SCHEMBL8478796 0.80 HDAC6 (0.47) HDAC6ATMTDP1KMT2ACYP2C19
SCHEMBL7031835 0.77 ITGB3 (0.66) ITGB3ITGA2BKMT2ACYP2C19
SCHEMBL5649043 0.77 HDAC6 (0.61) HDAC6TDP1CYP2C19
Hydrochloric Acid SCHEMBL6700967 0.76 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19
Hydrochloric Acid SCHEMBL7969479 0.76 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19
Hydrochloric Acid SCHEMBL6700973 0.76 ITGB3 (0.65) ITGB3ITGA2BKMT2ACYP2C19

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