SCHEMBL8908404

SCHEMBL8908404

BrC(Br)c1cccc(-c2cccc(C(Br)Br)n2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
ALPL P05186 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ALPI P09923 1/20 0.37
ALPG P10696 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CCR5 P51681 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 1/20 0.35
PGK1 P00558 2/20 0.31

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
SCHEMBL3628975 0.86 PGK1 (0.39) PGK1PGK2ALDH1A1CYP1A2CYP2C9
SCHEMBL9640626 0.85 KDM4E (0.63) CCR1CCR8KDM4ETDP1L3MBTL1
Bromide SCHEMBL6996116 0.83 PGK1 (0.38) PGK1PGK2ALDH1A1CYP1A2CYP2C9
SCHEMBL10753873 0.75 PGK1 (0.33) PGK1PGK2MAPT
SCHEMBL12922238 0.74 CCR1 (0.46) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL8778735 0.73 CYP1A2 (0.42) KDM4ELMNASMN1; SMN2RAB9AALDH1A1
SCHEMBL7419647 0.69 KDM4E (0.61) KDM4ETDP1L3MBTL1LMNAALOX15
SCHEMBL9876950 0.69 CCR1 (0.41) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL818155 0.66 CCR1 (0.38) CCR1CCR8KDM4ETDP1L3MBTL1
SCHEMBL13400154 0.66 CCR1 (0.38) CCR1CCR8KDM4ETDP1L3MBTL1

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-0601113-B1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INT (FR) 1997-01-08 EP disclosed
US-5457184-A Medical diagnosis CIS BIO INTERNATIONAL (FR) 1995-10-10 US disclosed
US-5432101-A Complex consists of biologically active molecule associated by coupling or adsorption with the complex COMPAGNIE ORIS INDUSTRIE SA (FR) 1995-07-11 US disclosed
EP-0601113-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE. CIS BIO INT (FR) 1994-06-15 EP disclosed
US-5220012-A Macropolycyclic rare earth complexes and application as fluorescent tracers COMPAGNIE ORIS INDUSTRIE SA (FR) 1993-06-15 US disclosed
WO-1993005049-A1 RARE EARTH MACROCYCLIC COMPLEXES AND USE THEREOF FOR REDUCTION OF DISTURBANCES IN AN ASSAY USING FLUORESCENCE CIS BIO INTERNATIONAL (FR) 1993-03-18 WO disclosed
US-4927923-A IMMUNOLOGY COMPAGNIE ORIS INDUSTRIES (FR) 1990-05-22 US disclosed