SCHEMBL8320511

SCHEMBL8320511

COc1ccc(C(=O)Nc2ccncc2)c2c3c([nH]c12)CCCCC3

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
KCNMA1 Q12791 1/20 0.47
PDE4B Q07343 4/20 0.47
PDE4A P27815 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
JAK2 O60674 2/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
TYK2 P29597 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL6919528 0.99 MAPT (0.48) MAPTKCNMA1PDE4BPDE4APDE4C
SCHEMBL8324467 0.83 PDE4D (0.57) PDE4BPDE4APDE4CPDE4D
SCHEMBL6920710 0.82 PDE4D (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL8327219 0.80 GFER (0.49) MAPTMAPK1ALDH1A1TP53TDP1
SCHEMBL6922067 0.80 USP2 (0.43) MAPTMAPK1TP53HTTTDP1
SCHEMBL6921519 0.80 PDE4D (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL6918015 0.78 GFER (0.50) MAPTSMN1; SMN2MAPK1ALDH1A1MEN1
SCHEMBL8318940 0.78 PDE4A (0.58) MAPTKCNMA1PDE4BPDE4APDE4C
SCHEMBL6922902 0.77 GAA (0.40) MAPTMAPK1MEN1PKMKMT2A
SCHEMBL8324668 0.77 PDE4A (0.59) MAPTKCNMA1PDE4BPDE4APDE4C

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-2004069831-A1 TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS LTD. (US) 2004-08-19 WO disclosed