SCHEMBL8309426

SCHEMBL8309426

Cc1ccc(C)n1NC(=O)CN(C(=O)O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 8/20 0.38
KMT2A Q03164 8/20 0.38
MAPT P10636 5/20 0.38
ALDH1A1 P00352 5/20 0.38
ALOX15 P16050 5/20 0.37
POLB P06746 3/20 0.37
USP2 O75604 2/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL8306256 0.74 MEN1 (0.33) MEN1KMT2AALDH1A1ALOX15LMNA
SCHEMBL8303999 0.73 MEN1 (0.34) MEN1KMT2AALDH1A1ALOX15LMNA
SCHEMBL8306762 0.72 MEN1 (0.33) MEN1KMT2AALDH1A1ALOX15LMNA
SCHEMBL8881373 0.71 KMT2A (0.35) CYP2C19MEN1KMT2AMAPTALDH1A1
SCHEMBL8307945 0.69 MEN1 (0.32) MEN1KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2237272 0.69 KDM4E (0.37) CYP3A4CYP2C19MEN1KMT2AALDH1A1
SCHEMBL11260143 0.69 MEN1 (0.49) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL605269 0.66 MEN1 (0.30) MEN1KMT2AHTTL3MBTL1
SCHEMBL17600318 0.66 KMT2A (0.63) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL4573808 0.65 CYP3A4 (0.57) CYP3A4CYP2C9CYP2C19MEN1KMT2A

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