SCHEMBL21872003

SCHEMBL21872003

C=CC(=N)OCCN1CCNC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
RAB9A P51151 1/20 0.35
PDK2 Q15119 1/20 0.34
RET P07949 1/20 0.34
KDR P35968 1/20 0.34
ALDH1A1 P00352 5/20 0.34
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
SCN9A Q15858 3/20 0.33
SCN5A Q14524 2/20 0.32
MAPT P10636 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31

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
SCHEMBL167047 0.83 ALDH1A1 (0.42) KMT2ARAB9APDK2RETKDR
SCHEMBL9166053 0.76 KMT2A (0.40) KMT2ARAB9APDK2RETKDR
SCHEMBL94299 0.76 ALDH1A1 (0.38) KMT2ARAB9APDK2RETKDR
SCHEMBL27687659 0.75 ALDH1A1 (0.47) KMT2ARAB9APDK2RETKDR
SCHEMBL6881865 0.74 RAB9A (0.40) KMT2ARAB9APDK2RETKDR
SCHEMBL20851993 0.74 ALDH1A1 (0.42) KMT2ARAB9APDK2RETKDR
SCHEMBL10018739 0.74 ALDH1A1 (0.44) KMT2ARAB9APDK2RETKDR
SCHEMBL10021846 0.74 KMT2A (0.38) KMT2ARAB9APDK2RETKDR
SCHEMBL138215 0.74 THRB (0.41) KMT2ARAB9APDK2RETKDR
SCHEMBL10018813 0.73 KMT2A (0.40) KMT2ARAB9APDK2RETKDR

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-3626472-A1 LASER MARKABLE COMPOSITIONS AGFA NV (BE) 2020-03-25 EP disclosed