SCHEMBL8628479

SCHEMBL8628479

CC(=O)C(Br)(CC(=O)C(Br)Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
MTNR1A P48039 4/20 0.34
MTNR1B P49286 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
PAX8 Q06710 1/20 0.33
HPGD P15428 1/20 0.33
FFAR1 O14842 1/20 0.32
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
KIF11 P52732 1/20 0.31
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL8555710 0.73 LMNA (0.44) SMN1; SMN2PKMLMNAL3MBTL1POLB
SCHEMBL28557034 0.70 PIN1 (0.47) SMN1; SMN2PKML3MBTL1POLBALDH1A1
SCHEMBL11208198 0.67 ALDH1A1 (0.47) SMN1; SMN2LMNAL3MBTL1POLBMAPK1
SCHEMBL1357707 0.65 TDP1 (0.45) LMNAL3MBTL1ALDH1A1MAPTGAA
SCHEMBL11269432 0.64 PKM (0.46) SMN1; SMN2PKMLMNAL3MBTL1POLB
SCHEMBL15116699 0.63 ALDH1A1 (0.42) SMN1; SMN2LMNAMAPK1MTNR1AMTNR1B
SCHEMBL11264686 0.63 ALDH1A1 (0.42) SMN1; SMN2PKMLMNAL3MBTL1POLB
SCHEMBL11871472 0.63 CTSD (0.48) SMN1; SMN2PKMLMNAL3MBTL1POLB
SCHEMBL6911785 0.63 ALDH1A1 (0.39) SMN1; SMN2POLBMTNR1AMTNR1BALDH1A1
Acetic Acid SCHEMBL22497414 0.62 LMNA (0.47) SMN1; SMN2PKMLMNAL3MBTL1POLB

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
EP-0880504-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-12-02 EP disclosed
WO-1997027181-A1 HETEROCYCLO-SUBSTITUTED IMIDAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-07-31 WO disclosed