SCHEMBL7968855

SCHEMBL7968855

Brc1ccccn1.Brc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
LMNA P02545 4/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 2/20 0.50
P4HTM Q9NXG6 2/20 0.50
CYP1A2 P05177 1/20 0.50
POLB P06746 1/20 0.50
METAP1 P53582 1/20 0.50
BLM P54132 1/20 0.50
HIF1A Q16665 1/20 0.50
DOHH Q9BU89 1/20 0.50
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TDP1 Q9NUW8 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL3361754 1.00
SCHEMBL18660494 1.00
SCHEMBL6536 1.00
SCHEMBL29389987 1.00
SCHEMBL220275 0.97
Hydrochloric Acid SCHEMBL4869908 0.97
Hydrochloric Acid SCHEMBL6296174 0.97
Bromide SCHEMBL6626855 0.97
SCHEMBL1267715 0.97
Iodide SCHEMBL7430322 0.97

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
CN-107056754-A The WNT pathway inhibitors of embedded ureas structure 杭州雷索药业有限公司 2017-08-18 CN disclosed
US-6235730-B1 ANTICHOLESTEROL AGENT, ANTILIPEMIC AGENT JAPAN TOBACCO, INC. (JP) 2001-05-22 US disclosed