SCHEMBL8900644

SCHEMBL8900644

COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)cc1OCc1nc(-c2cccs2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 4/20 0.56
PDE4B Q07343 5/20 0.56
PDE4A P27815 3/20 0.56
PDE4C Q08493 3/20 0.56
CYP2B6 P20813 1/20 0.55
MAPT P10636 5/20 0.53
PKM P14618 3/20 0.53
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.48
NFKB1 P19838 2/20 0.48
NFKB2 Q00653 2/20 0.48
RELA Q04206 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48

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 0.85 PDE4D (0.60) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8900252 0.84 PDE4D (0.65) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8890668 0.84 PDE4D (0.57) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889628 0.84 PDE4D (0.61) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8902534 0.83 LMNA (0.59) MAPTPKMLMNATSHRSMN1; SMN2
SCHEMBL8900264 0.82 LMNA (0.60) MAPTPKMLMNATSHRSMN1; SMN2
SCHEMBL8890135 0.80 PDE4B (0.70) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8889614 0.77 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8888686 0.77 PDE4D (0.73) PDE4DPDE4BPDE4APDE4CCYP2B6
SCHEMBL8888975 0.75 PDE4D (0.70) 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 1 patent. 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