SCHEMBL7772147

SCHEMBL7772147

COc1ccc(-c2cc(-c3ccccn3)nc(-c3cccc(CN(CC(=O)O)CC(=O)O)n3)c2)cc1N=C=S

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
KMT2A Q03164 2/20 0.36
ADORA2A P29274 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SYK P43405 2/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
GYS1 P13807 1/20 0.34
PTGER2 P43116 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL9391451 0.94 GYS1 (0.36) PPARGPPARAKMT2AMEN1KDM4E
SCHEMBL8824335 0.88 ALDH1A1 (0.34) KMT2AMEN1KDM4EALDH1A1PDE4A
SCHEMBL7770333 0.85 ADORA2A (0.44) PPARGPPARAKMT2AADORA2AMEN1
SCHEMBL8597039 0.84 MEN1 (0.44) PPARGPPARAKMT2AADORA2AMEN1
SCHEMBL8601997 0.81 ALDH1A1 (0.44) KMT2AMEN1KDM4EALDH1A1GYS1
SCHEMBL7717266 0.78 ADORA2A (0.37) KMT2AADORA2AMEN1KDM4EALDH1A1
SCHEMBL30803820 0.78 ADORA2A (0.37) KMT2AADORA2AMEN1KDM4EALDH1A1
SCHEMBL7774104 0.78 ADORA2A (0.43) ADORA2AKDM4EALDH1A1PDE4APDE4B
SCHEMBL8936038 0.78 ADORA2A (0.37) KMT2AADORA2AMEN1KDM4EALDH1A1
SCHEMBL8765283 0.77 MCL1 (0.45) KDM4EALDH1A1GYS1TP53ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248870-B1 OLIGO-2,6-PYRIMIDINE COMPLEXING AGENT. NYCOMED IMAGING AS (NO) 2001-06-19 US disclosed
US-5817774-A Unsymmetrical complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods STERLING WINTHROP INCORPORATION (US) 1998-10-06 US disclosed
US-5559214-A Unsymmetrical complexing agents and targeting immunoreagents useful in thearpeutic and diagnostic compositions and methods STERLING WINTHROP INC. (US) 1996-09-24 US disclosed