SCHEMBL5564703

SCHEMBL5564703

Cc1cc(NC(=O)[C]2CC3CCC2(C(N)=O)C3)ccc1N1CCCCN1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 2/20 0.33
PDE7A Q13946 1/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 4/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
CASP3 P42574 1/20 0.33
KMT2A Q03164 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
GAA P10253 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL5565253 0.72 NPC1 (0.34) ALDH1A1TP53SMN1; SMN2MAPTMEN1
SCHEMBL5568419 0.69 NPY2R (0.42) SMN1; SMN2KDM4EMAPTL3MBTL1NPC1
SCHEMBL5563297 0.67 GAA (0.37) ALDH1A1SMN1; SMN2MAPTHPGDL3MBTL1
SCHEMBL6454350 0.65 F10 (0.39) ALDH1A1SMN1; SMN2KDM4EHPGDNPSR1
SCHEMBL29639818 0.63 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2KDM4EMAPT
SCHEMBL6457868 0.61 F10 (0.68) ALDH1A1SMN1; SMN2KDM4EHPGDMEN1
SCHEMBL6454183 0.60 F10 (0.45) ALDH1A1SMN1; SMN2KDM4EMAPTHPGD
SCHEMBL6454489 0.60 CTSL (0.39) TP53POLBSMN1; SMN2MAPTL3MBTL1
SCHEMBL4156611 0.58 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2KDM4EMAPT
SCHEMBL3429191 0.58 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748997-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-07 EP disclosed
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed