SCHEMBL11560947

SCHEMBL11560947

COc1c(C)nnc(Cl)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.44
PDE4A P27815 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
LMNA P02545 1/20 0.39
HPGD P15428 3/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAOB P27338 1/20 0.37
GLA P06280 1/20 0.37
CHEK1 O14757 1/20 0.37
AKT2 P31751 1/20 0.37
BRD4 O60885 1/20 0.37
BRD2 P25440 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DHPS P49366 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL2872108 0.81 MAOB (0.51) LMNAHPGDMAOBCHEK1AKT2
SCHEMBL1937534 0.78 ADORA2A (0.43) HPGDALDH1A1KDM4EMAOBGLA
SCHEMBL2872995 0.77 NPC1 (0.48) LMNAHPGDALDH1A1KDM4EGLA
SCHEMBL10131893 0.74 MAOB (0.45) LMNAHPGDMAOBCHEK1AKT2
SCHEMBL12306078 0.74 LMNA (0.47) LMNAHPGDKDM4EMAOBCHEK1
SCHEMBL2865128 0.74 LMNA (0.41) LMNAKDM4ECHEK1AKT2BRD4
SCHEMBL26287757 0.71 MEN1 (0.32)
SCHEMBL10015953 0.70 MAOB (0.42) LMNAHPGDALDH1A1KDM4EMAOB
SCHEMBL2872817 0.70 MAOB (0.60) LMNAHPGDALDH1A1MAOBCHEK1
SCHEMBL12181771 0.70 PDE4B (0.71) PDE4BPDE4APDE4CPDE4DLMNA

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
US-4169158-A Pyridazine derivatives in alleviating depressive states CENTRE D'ETUDES EXPERIMENTALES ET CLINIQUES DE PHYSIO BIOLOGIE DE PHARMACOLOGIE ET D'EUTONOLOGIE (FR) 1979-09-25 US disclosed