SCHEMBL8714355

SCHEMBL8714355

CCCOc1ccc(C=C2SC(=S)NC2=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.80
PIM2 Q9P1W9 2/20 0.80
MEN1 O00255 2/20 0.69
POLB P06746 2/20 0.69
KMT2A Q03164 2/20 0.69
BLM P54132 1/20 0.69
NOD2 Q9HC29 1/20 0.69
CSNK2A2 P19784 1/20 0.69
CLK1 P49759 1/20 0.69
CSNK2B P67870 1/20 0.69
CSNK2A1 P68400 1/20 0.69
DYRK1A Q13627 1/20 0.69
DYRK1B Q9Y463 1/20 0.69
GPR35 Q9HC97 1/20 0.69
PTGS2 P35354 1/20 0.67
MMP3 P08254 2/20 0.66
MMP13 P45452 2/20 0.66
HRH3 Q9Y5N1 1/20 0.66
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65

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
SCHEMBL8714351 1.00 PIM1 (0.80) PIM1PIM2MEN1POLBKMT2A
SCHEMBL1249347 0.95 PIM1 (0.71) PIM1PIM2MEN1POLBKMT2A
SCHEMBL1249348 0.95 PIM1 (0.71) PIM1PIM2MEN1POLBKMT2A
SCHEMBL8310047 0.92 PIM1 (0.68) PIM1PIM2MEN1POLBKMT2A
SCHEMBL13846898 0.91 PIM1 (0.67) PIM1PIM2MEN1POLBKMT2A
SCHEMBL8165537 0.89 MEN1 (0.84) PIM1PIM2MEN1POLBKMT2A
SCHEMBL8165534 0.89 MEN1 (0.84) PIM1PIM2MEN1POLBKMT2A
SCHEMBL15816291 0.89 MEN1 (0.84) PIM1PIM2MEN1POLBKMT2A
SCHEMBL2544367 0.89 PIM1 (1.00) PIM1PIM2GPR35PTGS2HRH3
SCHEMBL2544373 0.89 PIM1 (1.00) PIM1PIM2GPR35PTGS2HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579770-B1 MACROCYCLIC LACTAM PROKINETIC AGENTS ABBOTT LAB (US) 1996-06-26 EP claimed
US-5716975-A NONTOXIC RHODANINE DERIVATIVES; ANTIDIABETIC AGENTS, CATHEPSIN D INHIBITORS, B-AMYLOID PROTEIN REDUCTION ELI LILLY AND COMPANY (US) 1998-02-10 US disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed