SCHEMBL8093064

SCHEMBL8093064

O=C(O)c1[nH]c2c(c1Cc1ccc(Cl)c(Cl)c1)C(=O)CCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.47
RNASEH1 O60930 1/20 0.41
KDM4A O75164 1/20 0.40
KDM5A P29375 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
DYRK1A Q13627 1/20 0.39
TSHR P16473 3/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MDM2 Q00987 1/20 0.36
HAO1 Q9UJM8 1/20 0.36
MAPT P10636 1/20 0.35
GRIN1 Q05586 1/20 0.34

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
SCHEMBL8089595 0.85 MAPT (0.46) TSHRNPC1LMNAGAAALOX15
SCHEMBL8095087 0.83 RNASEH1 (0.42) RNASEH1KDM4AKDM5AKDM5BLMNA
SCHEMBL8088554 0.80 DYRK1A (0.40) RNASEH1KDM4AKDM5AKDM5BDYRK1A
SCHEMBL8525719 0.73 PTK2 (0.65) PTK2TSHRNPC1LMNAGAA
SCHEMBL744649 0.71 PTK2 (0.61) PTK2TSHRNPC1LMNAGAA
SCHEMBL7682574 0.68 KDM4A (0.43) RNASEH1KDM4AKDM5AKDM5BALDH1A1
SCHEMBL7680945 0.68 PTPRC (0.44) RNASEH1KDM4AKDM5AKDM5BLMNA
SCHEMBL8081430 0.68 PTK2 (0.41) PTK2RNASEH1KDM4AKDM5AKDM5B
SCHEMBL8095077 0.67 MAPT (0.40) TSHRNPC1LMNARAB9ASMN1; SMN2
SCHEMBL7074236 0.67 POLB (0.47)

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
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 WO disclosed