SCHEMBL9856978

SCHEMBL9856978

C=C(C)C(=O)OC(C)Cn1ccnc1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALPL P05186 2/20 0.39
ALPG P10696 2/20 0.39
ALPI P09923 1/20 0.39
PLAA Q9Y263 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GFER P55789 1/20 0.39
MAPT P10636 1/20 0.39
AGER Q15109 1/20 0.39
FDPS P14324 1/20 0.38
POLB P06746 2/20 0.36
NOS1 P29475 1/20 0.35

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
SCHEMBL13587953 0.85 KMT2A (0.45) KMT2AMEN1HPGDKDM4EALPL
SCHEMBL9856937 0.84 ALPL (0.40) KMT2AMEN1HPGDKDM4EALPL
Hydrochloric Acid SCHEMBL9459900 0.76 SMN1; SMN2 (0.43) KMT2AMEN1HPGDKDM4EALPL
SCHEMBL8138464 0.75 ALDH1A1 (0.46) KMT2AKDM4EALPLALPGALPI
SCHEMBL5439099 0.74 KMT2A (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL5441555 0.74 HPGD (0.50) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9856981 0.73 ALDH1A1 (0.51) KMT2AKDM4EALDH1A1FDPSPOLB
SCHEMBL26039535 0.71 PKM (0.52) ALDH1A1
SCHEMBL10665047 0.71 KDM4E (0.46) KMT2AMEN1HPGDKDM4EALPL
SCHEMBL440678 0.70 KMT2A (0.53) KMT2AMEN1HPGDKDM4EALPL

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-0407800-A2 Analysis method for determining substances from biological fluids MILES INC. (US) 1991-01-16 EP disclosed