SCHEMBL18654797

SCHEMBL18654797

CCOC1=CC=C(NC(=O)c2c(C)nc3ccc(-c4ccccc4C)nn23)NN1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.37
▸ TP53 P04637 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ POLB P06746 2/20 0.33

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
SCHEMBL18654802 0.91 ADORA2A (0.36) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL18654739 0.90 POLB (0.35) MAPTTP53ALDH1A1KDM4ETGFBR1
SCHEMBL18654741 0.89 MAPT (0.35) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL18654629 0.88 MAPT (0.39) MAPTTP53MEN1KMT2A
SCHEMBL18655158 0.84 TP53 (0.42) MAPTTP53ALDH1A1KDM4ENPSR1
SCHEMBL18655200 0.83 MAPT (0.37) MAPTTP53ALDH1A1KDM4EMEN1
SCHEMBL18655240 0.81 CSNK1D (0.36) MAPTALDH1A1KDM4EUSP2POLB
SCHEMBL18654738 0.81 FYN (0.47) —
SCHEMBL18654743 0.79 MAPT (0.36) MAPTTP53ALDH1A1KDM4ETDP1
SCHEMBL14897343 0.79 MAPT (0.36) MAPTTP53ALDH1A1KDM4EMEN1

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-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
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