SCHEMBL8836040

SCHEMBL8836040

Cc1cn(NC(=O)O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
FABP4 P15090 2/20 0.46
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HTR6 P50406 1/20 0.42
TFPI2 P48307 1/20 0.42
SLC6A4 P31645 2/20 0.40
POLB P06746 1/20 0.40
NR4A2 P43354 2/20 0.40
NQO2 P16083 1/20 0.40
PLK1 P53350 1/20 0.39

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
SCHEMBL8835800 0.83 SLC6A2 (0.47) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL8836604 0.83 FABP4 (0.51) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL8836619 0.82 SLC6A2 (0.46) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL8836015 0.82 SLC6A2 (0.46) SLC6A2MEN1KMT2AFABP4HDAC1
Hydrochloric Acid SCHEMBL8835776 0.81 SLC6A2 (0.44) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL8836337 0.81 KMT2A (0.38) MEN1KMT2AFABP4KDM4EPOLB
SCHEMBL8836020 0.76 SLC6A2 (0.46) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL27450881 0.76 SLC6A2 (0.43) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL3632244 0.76 SLC6A2 (0.56) SLC6A2MEN1KMT2AFABP4HDAC1
SCHEMBL11452265 0.75 SLC6A2 (0.51) SLC6A2MEN1KMT2AFABP4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US claimed
US-5646300-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL, INC. (US) 1997-07-08 US disclosed
US-5591866-A NEUROPROTECTIVE AGENTS HOECHST MARION ROUSSEL INC. (US) 1997-01-07 US disclosed
US-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 US disclosed
EP-0563916-B1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST ROUSSEL PHARMA (US) 1995-08-16 EP disclosed
US-5319096-A Neuroprotective agent HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-06-07 US disclosed
EP-0563916-A1 (1H-Indol-1-yl)-2-(amino)acetamides and related (1H-indol-1-yl)-(aminoalkyl)amides, intermediates and a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-10-06 EP disclosed