SCHEMBL8730491

SCHEMBL8730491

Brc1cccc(-c2ccccn2)c1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
LMNA P02545 3/20 0.50
CCR1 P32246 2/20 0.50
CCR5 P51681 2/20 0.50
CCR8 P51685 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
P4HTM Q9NXG6 1/20 0.50
TP53 P04637 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALOX15 P16050 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 2/20 0.48
ALPL P05186 1/20 0.48

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
SCHEMBL30017935 0.90 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL750980 0.85 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29765883 0.85 KDM4E (0.56) KDM4ELMNACCR1CCR5CCR8
SCHEMBL751816 0.83 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL30989131 0.83 KDM4E (0.59) KDM4ELMNACCR1CCR5CCR8
SCHEMBL25462779 0.81 GRM5 (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL18319296 0.81 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL1770622 0.81 KDM4E (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16058331 0.79 KDM4E (0.48) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5322034 0.79 KDM4E (0.59) 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
US-5736274-A ANODE ACTIVE MATERIAL AND SOLID ELECTROLYTE FOR BATTERIES; HIGH ELECTROMOTIVE FORCE; HIGH ENERGY DENSITY; POLLUTION CONTROL; FLUORINATING AGENTS; LOW INTERNAL RESISTANCE IN CHARGING AND DISCHARGING DAIKIN INDUSTRIES, LTD. (JP) 1998-04-07 US disclosed