SCHEMBL7032073

SCHEMBL7032073

N=C(N)[N]C(=O)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 2/20 0.45
HCAR2 Q8TDS4 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
PLAU P00749 1/20 0.43
PARP10 Q53GL7 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
SCHEMBL2111562 0.85 ALDH1A1 (0.61) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7346308 0.81 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8958799 0.79 ALDH1A1 (0.50) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL7297834 0.79 ALDH1A1 (0.63) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL3993457 0.79 ALDH1A1 (0.53) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL8098924 0.78 MRGPRX4 (0.40) ALDH1A1TDP1CA1CA2CA9
SCHEMBL5081741 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL17527982 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
Guanidine SCHEMBL27358697 0.78 ALDH1A1 (0.57) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2
SCHEMBL10885854 0.78 ALDH1A1 (0.49) ALDH1A1TDP1MAPK1L3MBTL1SLC6A2

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 12 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 claimed
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 claimed
EP-0823898-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1998-02-18 EP claimed
WO-1996033976-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-31 WO claimed
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed
EP-0823898-B1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AG (DE) 2003-02-26 EP disclosed
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
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
WO-1996033976-A1 HYDANTOINE DERIVATIVES AS INTERMEDIATE PRODUCTS FOR ACTIVE PHARMACEUTICAL AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-31 WO disclosed