SCHEMBL11044403

SCHEMBL11044403

COc1ccc(Cl)cc1C(O)C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ADRA2A P08913 2/20 0.38
ADRA1A P35348 2/20 0.38
LPAR1 Q92633 2/20 0.38
SLC6A4 P31645 1/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2D6 P10635 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
CHEK1 O14757 1/20 0.36
MAPK1 P28482 1/20 0.36
BLM P54132 1/20 0.36
HPGD P15428 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
SCHEMBL21136940 0.84 MEN1 (0.45) MEN1KMT2AADRA2AADRA1ALPAR1
SCHEMBL8726432 0.81 ADRA1A (0.58) MEN1KMT2AADRA2AADRA1ALMNA
SCHEMBL930177 0.80 KDM4E (0.43) KDM4EMEN1KMT2AADRA2AADRA1A
SCHEMBL364796 0.79 ADRA2A (0.45) KDM4EMEN1KMT2AADRA2AADRA1A
SCHEMBL11220310 0.79 KDM4E (0.39) KDM4EMEN1KMT2ALPAR1SLC6A4
SCHEMBL22144397 0.77 TSHR (0.47) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL1199570 0.77 TSHR (0.47) KDM4EMEN1KMT2ALMNAALDH1A1
SCHEMBL16093967 0.76 KDM4E (0.43) KDM4EMEN1KMT2ALPAR1SLC6A4
SCHEMBL2850411 0.75 TSHR (0.36) ALDH1A1
SCHEMBL11040699 0.75 ALDH1A1 (0.38) KDM4EMEN1KMT2ASLC6A4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed