SCHEMBL8325509

SCHEMBL8325509

COc1ccc(C(=O)Nc2cccnc2)c2c3c(oc12)CC(C)CC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MAPT P10636 2/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 3/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 3/20 0.46
ALDH1A1 P00352 5/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SGMS2 Q8NHU3 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL8324954 0.90 PDE4A (0.53) GAAPOLBNPC1MAPTSMN1; SMN2
SCHEMBL8319231 0.84 PDE4D (0.58) PDE4APDE4BPDE4CPDE4D
SCHEMBL8325518 0.78 MAPT (0.38) GAANPC1KDM4EMAPTTSHR
SCHEMBL8318915 0.78 NPC1 (0.50) GAARAB9ANPC1KDM4EMAPT
SCHEMBL8326243 0.78 PDE4A (0.51) POLBRAB9ANPC1TP53USP2
SCHEMBL8325539 0.76 ALDH1A1 (0.50) GAAPOLBRAB9ANPC1KDM4E
SCHEMBL5018075 0.76 NPC1 (0.55) GAAPOLBRAB9ANPC1KDM4E
SCHEMBL8324668 0.76 PDE4A (0.59) GAAPOLBRAB9ANPC1KDM4E
SCHEMBL8318940 0.75 PDE4A (0.58) GAAPOLBRAB9ANPC1KDM4E
SCHEMBL5022893 0.72 GAA (0.53) GAAPOLBRAB9ANPC1KDM4E

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