SCHEMBL6209840

SCHEMBL6209840

CC(C)(C)NC(=S)NC(CO)Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ROCK2 O75116 5/20 0.43
ROCK1 Q13464 5/20 0.43
PRKACA P17612 3/20 0.43
PRKX P51817 3/20 0.43
PRKG1 Q13976 3/20 0.43
CLK4 Q9HAZ1 3/20 0.43
MAPK1 P28482 3/20 0.43
IRAK1 P51617 2/20 0.43
PKN2 Q16513 2/20 0.43
RPS6KA5 O75582 2/20 0.43
RPS6KA4 O75676 2/20 0.43
GSK3B P49841 2/20 0.43
GSK3A P49840 1/20 0.43
SGK2 Q9HBY8 1/20 0.43
LIMK1 P53667 2/20 0.41
RPS6KB1 P23443 1/20 0.41
PRKG2 Q13237 1/20 0.41

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
SCHEMBL6209835 1.00 POLB (0.43) POLBHPGDSMN1; SMN2ROCK2ROCK1
SCHEMBL6232713 0.85 NPC1 (0.55) HPGDSMN1; SMN2ROCK2ROCK1PRKACA
SCHEMBL6209680 0.84 CNR1 (0.44) MAPK1RAB9ANPC1KMT2ACYP3A4
SCHEMBL6237990 0.84 ALDH1A1 (0.44) HPGDSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL6210753 0.81 KMT2A (0.40) HPGDSMN1; SMN2MAPK1RAB9ANPC1
SCHEMBL13655383 0.80 LOX (0.42) POLBROCK2ROCK1GSK3BRAB9A
SCHEMBL6211363 0.79 RAB9A (0.43) POLBHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6211920 0.79 RAB9A (0.43) POLBHPGDSMN1; SMN2RAB9ANPC1
SCHEMBL6212969 0.78 MME (0.38) MAPK1RAB9ANPC1KMT2ACYP3A4
SCHEMBL4058914 0.77 POLB (0.34) POLBHPGDSMN1; SMN2ROCK2ROCK1

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
EP-1299365-B1 2-AMINOTHIAZOLINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed