SCHEMBL4434210

SCHEMBL4434210

NCCc1c(C(N)=O)[nH]c2cc[c]cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.44
MAP2 P11137 5/20 0.36
CYP1A2 P05177 2/20 0.35
HTR1D P28221 2/20 0.35
HTR7 P34969 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
FOLH1 Q04609 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR3A P46098 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAD52 P43351 1/20 0.34
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL4436661 0.82 HTR6 (0.34) HTR6MAP2CYP1A2HTR1DHTR7
SCHEMBL5495499 0.79 HTR6 (0.66) HTR6MAP2HTR1DHTR7KDM4E
SCHEMBL5670227 0.76 MAP2 (0.40) MAP2HSD17B10KDM4EALDH1A1MEN1
SCHEMBL4292563 0.75 HTR6 (0.62) HTR6MAP2CYP1A2HTR1DHTR7
SCHEMBL28746390 0.68 MCL1 (0.57) HTR6MAP2HTR1DHTR7KDM4E
SCHEMBL2003146 0.67 KDM4E (0.72) HTR6KDM4EALDH1A1FOLH1MCL1
SCHEMBL2734801 0.67 NR4A2 (0.40) CYP1A2HSD17B10KDM4EALDH1A1CYP3A4
SCHEMBL3320873 0.67 MCL1 (0.32) TSHRMCL1
SCHEMBL5279031 0.66 MAP2 (0.57) HTR6MAP2KDM4EALDH1A1FOLH1
SCHEMBL3482936 0.66 ALDH1A1 (0.48) CYP1A2HSD17B10KDM4EALDH1A1FOLH1

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-2125721-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-12-02 EP disclosed
WO-2008092666-A1 ARYL-SUBSTITUTED SULFONAMIDES FOR THE TREATMENT OF COGNITIVE OR FOOD INGESTION RELATED DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-07 WO disclosed