SCHEMBL9686992

SCHEMBL9686992

C=CC(c1ccccc1)C(C#N)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
LMNA P02545 2/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
AKR1C3 P42330 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ANPEP P15144 2/20 0.38
MEN1 O00255 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
NOS2 P35228 1/20 0.37

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
SCHEMBL9685959 0.86 SMN1; SMN2 (0.48) KMT2ALMNAALDH1A1GAAMEN1
SCHEMBL28026121 0.80 KMT2A (0.55) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL5836723 0.80 KMT2A (0.55) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL10982403 0.78 KMT2A (0.53) KMT2ALMNAALDH1A1KDM4EGAA
SCHEMBL22262945 0.78 KMT2A (0.68) KMT2ALMNAALDH1A1KDM4EGAA
SCHEMBL16870979 0.78 KMT2A (0.53) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL5835956 0.77 KMT2A (0.51) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL5835964 0.76 KMT2A (0.50) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL7043903 0.73 KMT2A (0.58) KMT2ALMNAALDH1A1MEN1PTGS1
SCHEMBL8686326 0.73 KMT2A (0.58) KMT2ALMNAALDH1A1GAAAKR1C3

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
US-5147952-A PROCESS FOR PRODUCING MACROMOLECULAR MONOMER TOAGOSEI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-09-15 US disclosed