SCHEMBL8088554

SCHEMBL8088554

N#Cc1[nH]c2c(c1Cc1ccc(Cl)c(Cl)c1)C(=O)CCC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.40
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BUB1 O43683 2/20 0.33
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33
RNASEH1 O60930 1/20 0.33
ALKBH3 Q96Q83 2/20 0.32
BRD4 O60885 3/20 0.32
BRDT Q58F21 2/20 0.32
BRD9 Q9H8M2 2/20 0.32
BRD7 Q9NPI1 2/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL8093064 0.80 PTK2 (0.47) DYRK1AMAPTL3MBTL1BUB1CCR2
SCHEMBL8089595 0.73 MAPT (0.46) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL8095087 0.64 RNASEH1 (0.42) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL18796774 0.63 PDE3B (0.71) MEN1KMT2AL3MBTL1RNASEH1ALKBH3
SCHEMBL7049651 0.62 RAB9A (0.48) KMT2APOLBMAPTCCR2BRD4
SCHEMBL3298586 0.60 IDO1 (0.64) POLBALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL2301312 0.57 LMNA (0.60) DYRK1AMEN1KMT2AALDH1A1KDM4E
SCHEMBL6921110 0.57 DYRK1A (1.00) DYRK1AMEN1KMT2APOLBMAPT
SCHEMBL1691780 0.56 SIGMAR1 (0.50) KMT2APOLBALDH1A1SLC6A2SLC6A4
SCHEMBL8303374 0.56 KCNH2 (0.51) SLC6A2SLC6A4SLC6A3

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