SCHEMBL3777154

SCHEMBL3777154

O=C(O)c1cnn(-c2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 10/20 0.51
ALKBH2 Q6NS38 2/20 0.51
HPGDS O60760 1/20 0.50
AKR1C3 P42330 1/20 0.46
ALKBH1 Q13686 5/20 0.45
ALDH1A1 P00352 1/20 0.40
PPARG P37231 1/20 0.40
MAPK10 P53779 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
SLC6A7 Q99884 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
SCHEMBL18320461 0.86 ALDH1A1 (0.39) EGLN1ALKBH2HPGDSAKR1C3ALKBH1
SCHEMBL19975395 0.79 SCN9A (0.45) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL2529820 0.77 FFAR4 (0.39) AKR1C3ALDH1A1PPARGMAPK10KMT2A
SCHEMBL4896499 0.77 SNCA (0.40) EGLN1ALDH1A1PPARGMAPK10KMT2A
SCHEMBL31517602 0.73 ALDH1A1 (0.34) AKR1C3ALDH1A1PPARGMAPK10KMT2A
SCHEMBL16547534 0.73 TDO2 (0.39) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL26388653 0.73 TDP1 (0.34) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL12571589 0.73 ALKBH2 (0.66) EGLN1ALKBH2HPGDSALKBH1
SCHEMBL23228040 0.72 ALDH1A1 (0.33) ALDH1A1PPARGMAPK10KMT2ANPSR1
SCHEMBL19975267 0.72 PDE10A (0.34) ALDH1A1PPARGMAPK10KMT2ANPSR1

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-2197551-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS Merck Sharp & Dohme Corp. (US) 2010-06-23 EP claimed
WO-2009032249-A1 SOLUBLE GUANYLATE CYCLASE ACTIVATORS MERCK & CO., INC. (US) 2009-03-12 WO claimed