SCHEMBL23929305

SCHEMBL23929305

CCCOc1ccc(CNc2c(Cl)cncc2Cl)cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.42
PDE4D Q08499 15/20 0.42
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
ABCB11 O95342 1/20 0.40
CSNK2A1 P68400 2/20 0.40
FPR2 P25090 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2887354 0.78 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL30084843 0.78 PDE4D (0.68) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL17127366 0.74 ALDH1A1 (0.52) PDE4DMEN1KMT2A
SCHEMBL30084827 0.72 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL2886497 0.72 PDE4B (0.74) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL18971592 0.68 PDE4D (0.62) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL15760710 0.68 PDE4B (0.54) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL15790465 0.65 PDE4B (0.49) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL6571713 0.65 PDE4B (0.59) PDE4BPDE4DPDE4APDE4CABCB11
SCHEMBL10210543 0.65 PDE4A (0.42) PDE4BPDE4DPDE4APDE4CMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022156727-A1 COMPOSITION AND METHOD FOR TREATING TUMORS 浙江养生堂天然药物研究所有限公司 2022-07-28 WO disclosed
WO-2021213455-A1 DRUG COMBINATION AND USE THEREOF 浙江养生堂天然药物研究所有限公司 (CN) 2021-10-28 WO disclosed