SCHEMBL30614148

SCHEMBL30614148

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.68
PDE4A P27815 3/20 0.59
PDE4B Q07343 3/20 0.59
PDE4C Q08493 3/20 0.59
RAB9A P51151 3/20 0.57
NPC1 O15118 2/20 0.57
TP53 P04637 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALOX15 P16050 1/20 0.57
CYP2B6 P20813 1/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
F10 P00742 1/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL8890532 0.84 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8890987 0.81 PDE4D (0.66) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL15270505 0.81 PDE4D (1.00) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL8891373 0.80 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL8891383 0.80 PDE4D (0.65) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL6874729 0.79 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CCYP2B6
SCHEMBL30614194 0.79 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CRAB9A
SCHEMBL2908650 0.79 PDE4D (0.81) PDE4DPDE4APDE4BPDE4CRAB9A
SCHEMBL3237987 0.79 TYK2 (0.60) PDE4DPDE4APDE4BPDE4CRAB9A
SCHEMBL8889407 0.79 PDE4D (0.62) PDE4DPDE4APDE4BPDE4CCYP2B6

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
CN-116963773-A Compositions and methods for treating tumors 浙江养生堂天然药物研究所有限公司 2023-10-27 CN disclosed