SCHEMBL8022899

SCHEMBL8022899

CC(O)=C(C#N)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
CES2 O00748 3/20 0.38
CES1 P23141 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
PTGS1 P23219 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPK1 P28482 2/20 0.38
SRD5A2 P31213 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
CYP3A4 P08684 1/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 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
SCHEMBL11566324 0.85 THRB (0.40) TSHRALOX15CES2CES1MEN1
SCHEMBL14194446 0.80 KMT2A (0.46) CES2CES1MEN1KMT2AMAPK1
SCHEMBL8544845 0.80 KMT2A (0.46) CES2CES1MEN1KMT2AMAPK1
SCHEMBL8544848 0.80 KMT2A (0.46) CES2CES1MEN1KMT2AMAPK1
SCHEMBL13310495 0.79 RECQL (0.41) TSHRALOX15CES2CES1MEN1
SCHEMBL15748937 0.79 TSHR (0.47) TSHRMEN1KMT2ASRD5A2
SCHEMBL8032317 0.77 CES2 (0.48) TSHRALOX15CES2CES1MEN1
SCHEMBL8032319 0.77 CES2 (0.48) TSHRALOX15CES2CES1MEN1
SCHEMBL8022876 0.76 CES2 (0.48) TSHRALOX15CES2CES1MEN1
SCHEMBL9864882 0.76 MEN1 (0.39) TSHRALOX15CES2CES1MEN1

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-0983997-A1 RESINS FOR ANTIFOULING AGENTS AGAINST PERIPHYTONS, PROCESS FOR THE PREPARATION OF THE RESINS, AND ANTIFOULING AGENTS AGAINST PERIPHYTONS CONTAINING THE SAME IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2000-03-08 EP disclosed