SCHEMBL3348890

SCHEMBL3348890

Brc1ccc(-c2cccc(-c3ccccn3)n2)nc1.Brc1ccc(-c2cccc(-c3ccccn3)n2)nc1.[Os]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
LMNA P02545 4/20 0.64
CCR1 P32246 3/20 0.64
CCR5 P51681 3/20 0.64
CCR8 P51685 3/20 0.64
TP53 P04637 3/20 0.64
ALOX15 P16050 3/20 0.64
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALPL P05186 1/20 0.64
HSP90AA1 P07900 1/20 0.64
ALPI P09923 1/20 0.64
ALPG P10696 1/20 0.64
MAPK1 P28482 1/20 0.64
P4HTM Q9NXG6 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50

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
SCHEMBL29419035 0.91 KDM4E (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL40547 0.91 KDM4E (0.61) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8739165 0.89 CCR1 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL31500786 0.89 CCR1 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL23082001 0.82 CCR1 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7964803 0.80 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Terpyridine SCHEMBL57442 0.80 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
Terpyridine SCHEMBL29357603 0.80 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30172832 0.80 KDM4E (1.00) KDM4ELMNACCR1CCR5CCR8
SCHEMBL20207976 0.80 KDM4E (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2010209044-A DINUCLEAR METAL COMPLEX AND PHOTOCATALYST CONTAINING THE SAME TOYOTA MOTOR CORP 2010-09-24 JP disclosed