SCHEMBL14996182

SCHEMBL14996182

CCOc1cc2c(cc1OC)CCN(C(=O)CC)C2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.69
LMNA P02545 2/20 0.69
KMT2A Q03164 4/20 0.67
ALDH1A1 P00352 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PDE4D Q08499 2/20 0.61
NPC1 O15118 1/20 0.60
HTT P42858 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 2/20 0.60
GLA P06280 1/20 0.60
RAB9A P51151 1/20 0.60
MEN1 O00255 2/20 0.58
ABCB1 P08183 2/20 0.56
ABCC1 P33527 1/20 0.56
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL14996180 0.93 KMT2A (0.67) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL22782402 0.90 MAPT (0.66) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL22782306 0.88 MAPT (0.70) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL21256062 0.87 MAPT (0.62) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL22782305 0.86 MAPT (0.61) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL30133462 0.85 KMT2A (0.58) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL3504748 0.85 KMT2A (0.58) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL11743606 0.85 KMT2A (0.58) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL11742452 0.85 MAPT (0.54) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL13059438 0.82 KMT2A (0.68) MAPTLMNAKMT2AALDH1A1SMN1; SMN2

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-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed