SCHEMBL28054874

SCHEMBL28054874

CCOC(OCC)(P=O)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
CHRM2 P08172 1/20 0.37
HDAC6 Q9UBN7 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.35
BLM P54132 1/20 0.35
CYP2D6 P10635 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
AHR P35869 1/20 0.34
GRM5 P41594 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33

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
SCHEMBL17976212 0.76 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1KDM4ECHRM2HDAC6
SCHEMBL19222207 0.74 SMN1; SMN2 (0.47) SMN1; SMN2L3MBTL1CHRM2HDAC6LMNA
SCHEMBL28205756 0.74 KCNN4 (0.36) SMN1; SMN2KDM4EHDAC6LMNAALDH1A1
SCHEMBL21742092 0.73 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1KDM4ECHRM2HDAC6
SCHEMBL11022686 0.72 CLK4 (0.42) HDAC6GAAKMT2A
SCHEMBL21742276 0.71 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM2HDAC6LMNA
SCHEMBL21742075 0.71 SMN1; SMN2 (0.44) SMN1; SMN2L3MBTL1CHRM2HDAC6LMNA
SCHEMBL6541865 0.70 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1KDM4ENPC1RAB9A
SCHEMBL14395280 0.70 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1KDM4ECHRM2HDAC6
SCHEMBL21742196 0.70 CHRM2 (0.44) SMN1; SMN2L3MBTL1NPC1RAB9ACHRM2

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
CN-105392777-A Biaryl derivatives as GRP120 agonists LG LIFE SCIENCES LTD 2016-03-09 CN disclosed