SCHEMBL72718

SCHEMBL72718

CCOC(=O)Cc1ccc(NC(=O)c2cn(C)c3ccccc23)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
S1PR2 O95136 1/20 0.46
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
NR4A2 P43354 1/20 0.45
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
HPGD P15428 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
PKM P14618 1/20 0.44
PDE10A Q9Y233 1/20 0.43
TP53 P04637 2/20 0.43
LMNA P02545 2/20 0.43
BRD4 O60885 1/20 0.43
BRPF1 P55201 1/20 0.43
TSHR P16473 2/20 0.43

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
SCHEMBL71948 0.89 RAB9A (0.48) MAPTPOLBMEN1KMT2AITGB1
SCHEMBL14626962 0.88 POLB (0.63) MAPTPOLBMEN1KMT2AS1PR2
SCHEMBL72352 0.88 POLB (0.61) MAPTPOLBMEN1KMT2AS1PR2
SCHEMBL2429129 0.87 ITGB1 (0.55) MAPTPOLBKMT2AITGB1ITGA4
SCHEMBL14505040 0.86 MAPT (0.45) MAPTPOLBMEN1KMT2AITGB1
SCHEMBL14591773 0.85 POLB (0.58) MAPTPOLBMEN1KMT2AS1PR2
SCHEMBL92336 0.83 MEN1 (0.55) MAPTPOLBMEN1KMT2AS1PR2
SCHEMBL2432469 0.80 ALDH1A1 (0.44) MAPTMEN1KMT2AITGB1ITGA4
SCHEMBL3579447 0.78 ITGB1 (0.56) MAPTMEN1KMT2AS1PR2ITGB1
SCHEMBL70951 0.77 RAB9A (0.52) MAPTPOLBMEN1KMT2AITGB1

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
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed