SCHEMBL8304637

SCHEMBL8304637

COc1ccc(C(=O)c2cccn2NC(=O)CN)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PLK1 P53350 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
Hydrochloric Acid SCHEMBL8305722 0.99 NPC1 (0.47) NPC1RAB9ACA1CA2LMNA
SCHEMBL10909763 0.84 RECQL (0.49) NPC1RAB9ALMNAALDH1A1MEN1
Bromide SCHEMBL10365710 0.82 RECQL (0.48) NPC1RAB9ALMNAALDH1A1MEN1
Hydrochloric Acid SCHEMBL10366206 0.82 RECQL (0.48) NPC1RAB9ALMNAALDH1A1MEN1
SCHEMBL8881006 0.79 ACHE (0.50) NPC1RAB9AALDH1A1NPSR1PPARG
SCHEMBL8306246 0.79 CTSD (0.47) NPC1LMNAALOX15MEN1KMT2A
Hydrochloric Acid SCHEMBL8307230 0.78 CTSD (0.46) NPC1LMNAALOX15MEN1KMT2A
SCHEMBL8304855 0.76 HCAR2 (0.35) NPC1RAB9ACA1CA2MAPT
Hydrochloric Acid SCHEMBL8303414 0.75 HCAR2 (0.34) NPC1RAB9ACA1CA2LMNA
SCHEMBL8880208 0.75 CA1 (0.50) NPC1RAB9ACA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US claimed
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 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