SCHEMBL8546751

SCHEMBL8546751

Oc1ccnc(-c2ncccc2-c2ccccn2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
LMNA P02545 3/20 0.42
CCR1 P32246 2/20 0.42
CCR5 P51681 2/20 0.42
CCR8 P51685 2/20 0.42
BLM P54132 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
METAP1 P53582 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
CASP6 P55212 1/20 0.40
TDP2 O95551 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PLCG1 P19174 1/20 0.40
CES1 P23141 1/20 0.40
PAX8 Q06710 1/20 0.40
RIN1 Q13671 1/20 0.40

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
SCHEMBL31563654 0.84 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30144092 0.84 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL3981999 0.84 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31663480 0.81 CYP2A6 (0.39) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30031 0.78 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5463849 0.77 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4755586 0.77 KDM1A (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16241819 0.76 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL78140 0.76 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL15436287 0.76 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0624097-B1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1998-03-18 EP disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed
EP-0639083-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1995-02-22 EP disclosed
US-5367080-A PYRIDINE DERIVATIVES STERLING WINTHROP INC. (US) 1994-11-22 US disclosed
EP-0624097-A1 TARGETING RADIOACTIVE IMMUNOREAGENTS NYCOMED IMAGING AS (NO) 1994-11-17 EP disclosed
WO-1993021957-A1 COMPLEXING AGENTS AND TARGETING IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1993-11-11 WO disclosed
WO-1992008494-A2 TARGETING RADIOACTIVE IMMUNOREAGENTS STERLING WINTHROP INC. (US) 1992-05-29 WO disclosed