SCHEMBL7696286

SCHEMBL7696286

O=c1[nH]nccc1C1=CNc2ccccc2S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
TLK2 Q86UE8 1/20 0.37
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 4/20 0.34
MAPT P10636 4/20 0.34
NOX1 Q9Y5S8 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
SNCA P37840 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
ALOX12 P18054 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL1456892 0.69 HCAR2 (0.41) TLK2ALDH1A1HSD17B10POLBTDP1
SCHEMBL22033216 0.69 GAA (0.45) L3MBTL1ALOX15ALDH1A1HSD17B10GAA
SCHEMBL4731700 0.67 PDPK1 (0.43) L3MBTL1ALOX15ALDH1A1MAPK10HSD17B10
SCHEMBL918364 0.67 SCN4A (0.52) L3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL29652613 0.66 NOTUM (0.45) TLK2ALOX15ALDH1A1MAPK10GAA
Hydrochloric Acid SCHEMBL30014721 0.65 SCN4A (0.50) L3MBTL1ALDH1A1MAPTCYP1A2
SCHEMBL9934356 0.64 GAA (0.43) L3MBTL1ALOX15ALDH1A1GAAMAPT
SCHEMBL4787445 0.64 SCN4A (0.48) ALDH1A1MAPTMEN1KMT2AMAOA
SCHEMBL9729916 0.64 TLK2 (0.31) TLK2
SCHEMBL3001981 0.63 BRD4 (0.37) TLK2ALOX15ALDH1A1HSD17B10GAA

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-6358947-B1 ANTITUMOR AND ANTICARCINOGENIC AGENTS; TREATING SEXUAL, UROGENITAL, AND HORMONAL DISORDERS; SIDE EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION 2002-03-19 US disclosed