SCHEMBL8307263

SCHEMBL8307263

CC(C)(C)N(CC(=O)Nn1cccc1C(=O)c1cccs1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
ALOX5 P09917 1/20 0.39
TSHR P16473 4/20 0.37
HPGDS O60760 1/20 0.36
ALOX15 P16050 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 3/20 0.34
ERCC5 P28715 1/20 0.34
FEN1 P39748 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
ALDH1A1 P00352 5/20 0.33
HPGD P15428 4/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 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
SCHEMBL8308342 0.85 ATM (0.33) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8306762 0.82 MEN1 (0.33) ALOX15MEN1KMT2AHTTLMNA
SCHEMBL8307945 0.81 MEN1 (0.32) MEN1KMT2AHTTALDH1A1NPC1
SCHEMBL8304521 0.77 HPGD (0.41) PTGS1PTGS2ALOX5TSHRHPGDS
Hydrochloric Acid SCHEMBL8304795 0.76 HPGD (0.40) PTGS1PTGS2ALOX5TSHRHPGDS
SCHEMBL8303999 0.76 MEN1 (0.34) ALOX15MEN1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL8995874 0.74 KMT2A (0.43) PTGS1PTGS2ALOX5TSHRHPGDS
SCHEMBL8881373 0.74 KMT2A (0.35) ALOX15MEN1KMT2AHTTLMNA
SCHEMBL8306256 0.68 MEN1 (0.33) ALOX15MEN1KMT2AHTTLMNA
SCHEMBL5291858 0.67 ALDH1A1 (0.57) TSHRMEN1KMT2AHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US claimed
EP-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP disclosed
US-5605925-A COGNITION ACTIVATOR; ALZHEIMER'S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-02-25 US disclosed
US-5580987-A TREATING 1-PHTHALIMIDOPYRROLE WITH BASE TO YIELD 1-AMINOPYRROLE, REACTING WITH SUBSTITUTED AMINO ACID TO OBTAIN DESIRED COMPOUND HOECHST MARION ROUSSEL, INC. (US) 1996-12-03 US disclosed
US-5576446-A GLYCINE PARTIAL AGONIST AND ENHANCEMENT OF LEARNING AND MEMORY, TREATMENT OF ALZHEIMER'S HOECHST MARION ROUSSEL, INC. (US) 1996-11-19 US disclosed
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US disclosed
EP-0582182-A1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-02-09 EP disclosed
US-5274116-A 1-aminoacetamidopyrroles and 1-aminoacetamido-2-(substituted)pyrroles and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-12-28 US disclosed