SCHEMBL2490835

SCHEMBL2490835

Cc1cc2nc(NC(=O)c3ccc(Oc4cc5c(cc4C#N)CCCO5)cc3)sc2cc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HPGD P15428 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PTGDR2 Q9Y5Y4 13/20 0.46
TP53 P04637 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
TDP1 Q9NUW8 1/20 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
SCHEMBL2128622 0.84 PTGDR2 (0.66) PTGDR2
SCHEMBL2616090 0.83 PTGDR2 (0.53) PTGDR2
SCHEMBL2489001 0.83 MAPT (0.56) KDM4EALDH1A1SMN1; SMN2NPC1MEN1
SCHEMBL2491666 0.78 PTGDR2 (0.48) PTGDR2
SCHEMBL2131233 0.75 PTGDR2 (0.64) PTGDR2
SCHEMBL2615065 0.74 SCD (0.54) NPC1MEN1KMT2ARAB9APTGDR2
SCHEMBL2134596 0.74 PTGDR2 (0.71) PTGDR2
SCHEMBL2128855 0.74 PTGDR2 (0.64) PTGDR2
SCHEMBL2130877 0.74 PTGDR2 (0.72) PTGDR2
SCHEMBL2492504 0.74 PTGDR2 (0.53) PTGDR2

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-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed