SCHEMBL22559963

SCHEMBL22559963

CN(C(=O)NCI)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPIB P23284 1/20 0.41
MEN1 O00255 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL966680 0.83 OPRM1 (0.51) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL2104344 0.81 PKM (0.49) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL20266341 0.80 PKM (0.47) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL9521252 0.79 ITGB3 (0.46) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL10824954 0.79 PKM (0.46) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL24487125 0.77 PKM (0.45) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL137254 0.76 LMNA (0.59) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL8946061 0.76 LMNA (0.59) PKMLMNAALDH1A1KDM4ENPC1
SCHEMBL2679486 0.76 KDM4E (0.52) ALDH1A1KDM4ESMN1; SMN2KMT2AHTT
SCHEMBL320116 0.75 POLB (0.59) PKMLMNAALDH1A1KDM4ENPC1

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-10808059-B2 Polymer CANON KABUSHIKI KAISHA (JP) 2020-10-20 US disclosed