SCHEMBL8899650

SCHEMBL8899650

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.60
PDE4B Q07343 6/20 0.59
PDE4A P27815 3/20 0.59
PDE4C Q08493 3/20 0.59
CYP2B6 P20813 1/20 0.58
SMPD1 P17405 2/20 0.53
MAPT P10636 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL8890634 0.84 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8901937 0.83 MAPT (0.55) SMPD1MAPTSMN1; SMN2POLBGAA
SCHEMBL8899897 0.83 MRGPRX4 (0.57) SMPD1MAPTSMN1; SMN2POLBGAA
SCHEMBL8889628 0.78 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8900252 0.78 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889614 0.77 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8888686 0.77 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL15270505 0.77 PDE4D (1.00) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL985307 0.76 PDE4B (0.82) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL6878175 0.76 PDE4B (0.85) PDE4DPDE4BPDE4APDE4CCYP2B6

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO claimed
WO-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed