SCHEMBL14985290

SCHEMBL14985290

CCOc1ccc(CCNC(=O)c2cc3ccccc3o2)cc1OCC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.76
SMN1; SMN2 Q16637 5/20 0.60
TSHR P16473 3/20 0.60
MAPT P10636 2/20 0.60
HTT P42858 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 2/20 0.55
OPRM1 P35372 1/20 0.55
TMEM97 Q5BJF2 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
GAA P10253 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
HKDC1 Q2TB90 1/20 0.53

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
SCHEMBL10073043 0.86 NAMPT (1.00) NAMPTSMN1; SMN2TSHRMAPTHTT
SCHEMBL14975698 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL2242298 0.79 SMN1; SMN2 (0.74) NAMPTSMN1; SMN2TSHRMAPTHTT
SCHEMBL14985303 0.78 PKM (0.76) SMN1; SMN2MAPTL3MBTL1MEN1KMT2A
SCHEMBL14985298 0.76 MAPT (0.68) SMN1; SMN2TSHRMAPTMEN1KMT2A
SCHEMBL14985280 0.76 SMN1; SMN2 (0.70) SMN1; SMN2MAPTMEN1KMT2ANPC1
SCHEMBL14976194 0.76 LMNA (0.67) SMN1; SMN2MAPTHTTL3MBTL1MEN1
SCHEMBL11446232 0.75 KMT2A (0.67) SMN1; SMN2L3MBTL1MEN1KMT2ALMNA
SCHEMBL14976630 0.75 KMT2A (0.63) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
SCHEMBL8401808 0.75 TP53 (0.70) SMN1; SMN2TSHRMAPTL3MBTL1MEN1

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
WO-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed