SCHEMBL21746091

SCHEMBL21746091

N=C/C(I)=C\NC1CCN(CCO)CC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.36
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC18A3 Q16572 1/20 0.34
F2 P00734 1/20 0.33
ST14 Q9Y5Y6 1/20 0.33
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL23033424 0.77
SCHEMBL24007252 0.74 ADH1B (0.39)
SCHEMBL1307156 0.73 ADH1B (0.48) KDM1APKMKMT2ASLC18A3F2
SCHEMBL21746222 0.72 EPHX2 (0.44) KDM1A
SCHEMBL21746087 0.71 TP53 (0.41) KDM1AALDH1A1
SCHEMBL21746084 0.71 EPHX1 (0.38)
SCHEMBL3412663 0.66 KDM1A (0.44) KDM1APKMKMT2ASLC18A3KDM4E
SCHEMBL24006562 0.65
SCHEMBL1516839 0.65 KDM1A (0.43) KDM1APKMKMT2ASLC18A3F2
SCHEMBL19723131 0.64 KDM1A (0.42) KDM1APKMKMT2ASLC18A3KDM4E

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-2944637-B1 NITROGEN-CONTAINING HETEROCYLIC COMPOUND OR SALT THEREOF FUJIFILM CORP (JP) 2020-02-19 EP disclosed