SCHEMBL5685444

SCHEMBL5685444

Nc1ccnc(-c2cccc(-c3ccccn3)n2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
L3MBTL1 Q9Y468 5/20 0.67
TP53 P04637 5/20 0.67
LMNA P02545 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
CCR1 P32246 3/20 0.67
CCR5 P51681 3/20 0.67
CCR8 P51685 3/20 0.67
ALOX15 P16050 3/20 0.67
HTT P42858 2/20 0.67
TDP1 Q9NUW8 2/20 0.67
ALPL P05186 1/20 0.67
HSP90AA1 P07900 1/20 0.67
ALPI P09923 1/20 0.67
ALPG P10696 1/20 0.67
MAPK1 P28482 1/20 0.67
ASIC3 Q9UHC3 2/20 0.56
CYP1A2 P05177 1/20 0.52
POLB P06746 1/20 0.52
METAP1 P53582 1/20 0.52

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
SCHEMBL247730 0.92 ASIC3 (0.64) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL30253423 0.92 ASIC3 (0.64) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL22345127 0.85 ASIC3 (0.56) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL29563296 0.84 CCR1 (0.64) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL198150 0.84 CCR1 (0.64) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL28288728 0.83 ASIC3 (0.53) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL923281 0.82 KDM4E (0.56) KDM4EL3MBTL1TP53LMNASMN1; SMN2
SCHEMBL7964803 0.82 KDM4E (1.00) KDM4EL3MBTL1TP53LMNASMN1; SMN2
Terpyridine SCHEMBL57442 0.82 KDM4E (1.00) KDM4EL3MBTL1TP53LMNASMN1; SMN2
Terpyridine SCHEMBL29357603 0.82 KDM4E (1.00) KDM4EL3MBTL1TP53LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1626982-A2 METAL CHELATE COMPLEXES IMMOBILIZED ON SOLID SUPPORTS FOR PEPTIDE PREPARATION AplaGen GmbH (DE) 2006-02-22 EP disclosed
WO-2004104023-A2 METAL CHELATE COMPLEXES IMMOBILIZED ON SOLID SUPPORTS FOR PEPTIDE PREPARATION APLAGEN GMBH (DE) 2004-12-02 WO disclosed
EP-0885233-A1 TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION LIMITED (GB) 1998-12-23 EP disclosed
WO-1997027202-A1 TERPYRIDINE-PLATINUM(II) COMPLEXES ISIS INNOVATION LIMITED (GB) 1997-07-31 WO disclosed