SCHEMBL12515632

SCHEMBL12515632

OCc1ccc(-c2cncs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
DYRK1A Q13627 2/20 0.41
CD38 P28907 2/20 0.40
CHEK1 O14757 1/20 0.40
CHEK2 O96017 1/20 0.40
FYN P06241 4/20 0.39
PTGS1 P23219 1/20 0.39
CARM1 Q86X55 3/20 0.38
PRMT1 Q99873 3/20 0.38
CYP17A1 P05093 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HDAC4 P56524 1/20 0.37
DYRK2 Q92630 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ESR1 P03372 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4536111 0.84 PRKCI (0.53) MKNK1MKNK2DYRK1ACD38FYN
SCHEMBL16298860 0.82 HRH3 (0.52) DYRK1ACD38CHEK1CHEK2CARM1
SCHEMBL13637132 0.80 CD38 (0.42) DYRK1ACD38CARM1PRMT1CYP17A1
SCHEMBL27811249 0.79 DYRK1A (0.38) DYRK1ACD38CHEK1CHEK2CARM1
SCHEMBL5179594 0.77 ESR1 (0.50) MKNK1MKNK2DYRK1ACHEK1CHEK2
SCHEMBL9454357 0.76 PRKCI (0.41) MKNK1MKNK2DYRK1ACD38FYN
SCHEMBL12936656 0.76 CARM1 (0.46) DYRK1ACD38CARM1PRMT1CYP17A1
SCHEMBL13625432 0.76 CD38 (0.40) DYRK1ACD38PTGS1CARM1PRMT1
SCHEMBL10034581 0.74 SLC6A2 (0.47) DYRK1ACD38CARM1PRMT1PRMT5
SCHEMBL1872880 0.74 DYRK1A (0.55) DYRK1ACD38CHEK1CHEK2CYP17A1

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
WO-2011084345-A1 A METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO disclosed
EP-1970377-A1 LINCOMYCIN DERIVATIVE AND ANTIBACTERIAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2008-09-17 EP disclosed