SCHEMBL7651587

SCHEMBL7651587

CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
NPC1 O15118 1/20 0.62
HPGD P15428 1/20 0.62
RAB9A P51151 1/20 0.62
HTT P42858 1/20 0.53
CYP1A2 P05177 1/20 0.50
POLB P06746 2/20 0.49
SCN1A P35498 1/20 0.49
SCN4A P35499 1/20 0.49
SCN5A Q14524 1/20 0.49
SCN9A Q15858 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
SCN10A Q9Y5Y9 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 1/20 0.47
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
NAMPT P43490 1/20 0.47

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
SCHEMBL1593502 0.88 ALDH1A1 (0.76) ALDH1A1NPC1HPGDRAB9AHTT
SCHEMBL1593930 0.86 ALDH1A1 (0.67) ALDH1A1NPC1HPGDRAB9AHTT
SCHEMBL1594444 0.83 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ACYP1A2POLB
SCHEMBL7651771 0.78 ALDH1A1 (0.61) ALDH1A1HPGDHTTPOLBSMN1; SMN2
SCHEMBL1593422 0.74 MEN1 (0.74) ALDH1A1NPC1RAB9AHTTPOLB
SCHEMBL7652121 0.73 POLB (0.60) ALDH1A1HTTPOLBSCN1ASCN4A
SCHEMBL4176762 0.72 KMT2A (0.62) ALDH1A1NPC1HPGDRAB9AHTT
SCHEMBL16615503 0.70 CA12 (0.61) ALDH1A1RAB9AHTTPOLBSMN1; SMN2
SCHEMBL3570640 0.68 GCK (0.52) ALDH1A1NPC1HPGDRAB9AHTT
SCHEMBL6699009 0.68 POLB (0.69) ALDH1A1POLBSCN1ASCN4ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed