SCHEMBL8555710

SCHEMBL8555710

CC(=O)C(Br)Sc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
MTNR1A P48039 4/20 0.40
MTNR1B P49286 4/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
FFAR1 O14842 1/20 0.38
PAX8 Q06710 1/20 0.37
AKR1C3 P42330 1/20 0.36

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
SCHEMBL1357707 0.78 TDP1 (0.45) LMNAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL27684874 0.77 LMNA (0.49) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL28557034 0.76 PIN1 (0.47) ALDH1A1HPGDMAPTSMN1; SMN2PKM
SCHEMBL11871472 0.75 CTSD (0.48) LMNAALDH1A1MAPTSMN1; SMN2PKM
Acetic Acid SCHEMBL22497414 0.74 LMNA (0.47) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL8628479 0.73 SMN1; SMN2 (0.35) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL4262200 0.73 LMNA (0.66) LMNAALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL11013481 0.72 LMNA (0.42) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13708391 0.72 LMNA (0.42) LMNAALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL13708393 0.72 LMNA (0.42) LMNAALDH1A1HPGDMAPTSMN1; SMN2

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 4 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
EP-0772600-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003388-A1 1,2-SUBSTITUTED IMIDAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed