SCHEMBL4950858

SCHEMBL4950858

O=C1NC(C=Cc2ccccc2)CO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KDM1A O60341 3/20 0.40
ALDH1A1 P00352 4/20 0.38
MAOA P21397 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
HIF1A Q16665 1/20 0.38
MAOB P27338 1/20 0.36
METAP1 P53582 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL4950851 1.00 MAPT (0.42) MAPTLMNAMEN1JAK2HTT
SCHEMBL4950846 1.00 MAPT (0.42) MAPTLMNAMEN1JAK2HTT
SCHEMBL5787475 0.74 THRA (0.42) LMNAALDH1A1HIF1A
SCHEMBL22201159 0.71 KDM1A (0.44) MAPTLMNAMEN1JAK2HTT
SCHEMBL21121183 0.71 KDM1A (0.44) MAPTLMNAMEN1JAK2HTT
SCHEMBL817759 0.70 KDM1A (0.50) MAPTLMNAMEN1JAK2HTT
SCHEMBL18086672 0.69 KDM1A (0.39) MAPTLMNAMEN1JAK2HTT
SCHEMBL28442251 0.69 LMNA (0.49) MAPTLMNAMEN1JAK2HTT
SCHEMBL16464448 0.68 LMNA (0.54) MAPTLMNAMEN1JAK2HTT
SCHEMBL16464446 0.68 LMNA (0.54) MAPTLMNAMEN1JAK2HTT

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-7385064-B1 Catalysts for use in enantioselective synthesis THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2008-06-10 US disclosed