SCHEMBL8836604

SCHEMBL8836604

Cc1cn(NC(=O)c2ccccc2C(=O)O)c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.51
POLB P06746 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MYC P01106 1/20 0.44
SLC6A2 P23975 1/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
APEX1 P27695 1/20 0.42
HPGDS O60760 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 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
SCHEMBL8836040 0.83 SLC6A2 (0.51) FABP4POLBSLC6A2KMT2AMEN1
SCHEMBL8835800 0.75 SLC6A2 (0.47) FABP4POLBALDH1A1SLC6A2KMT2A
SCHEMBL8836015 0.74 SLC6A2 (0.46) FABP4SLC6A2HTTCYP1A2KMT2A
SCHEMBL8836619 0.74 SLC6A2 (0.46) FABP4ALDH1A1SLC6A2HTTCYP1A2
Hydrochloric Acid SCHEMBL8835776 0.72 SLC6A2 (0.44) FABP4SLC6A2HTTCYP1A2KMT2A
SCHEMBL8599833 0.70 AKR1C3 (0.44) POLBALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL3631049 0.69 SLC6A2 (0.50) FABP4ALDH1A1MYCSLC6A2KMT2A
SCHEMBL8836020 0.68 SLC6A2 (0.46) FABP4ALDH1A1SLC6A2KMT2AMEN1
SCHEMBL3632244 0.68 SLC6A2 (0.56) FABP4SLC6A2CYP1A2KMT2ASMN1; SMN2
SCHEMBL11452265 0.67 SLC6A2 (0.51) FABP4POLBALDH1A1SLC6A2KMT2A

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-5565579-A NEUROPROTECTIVE AGENT HOECHST MARION ROUSSEL INC. (US) 1996-10-15 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