SCHEMBL8560790

SCHEMBL8560790

O=C1[C@@H](Br)CCN1Cc1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
TSHR P16473 1/20 0.44
DRD4 P21917 5/20 0.43
DRD3 P35462 3/20 0.43
CHRM2 P08172 1/20 0.42
CHRM3 P20309 1/20 0.42
HSD17B10 Q99714 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
GFER P55789 1/20 0.41
GBA1 P04062 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8560783 1.00 HTT (0.47) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL25244867 0.82 L3MBTL1 (0.47) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL8485479 0.82 ALDH1A1 (0.47) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL5843840 0.78 L3MBTL1 (0.56) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL13120844 0.77 ALDH1A1 (0.46) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL14303528 0.77 HRH3 (0.48) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL8564268 0.74 DDB1 (0.50) L3MBTL1ALDH1A1TSHRMEN1KMT2A
SCHEMBL8564264 0.74 DDB1 (0.50) L3MBTL1ALDH1A1TSHRMEN1KMT2A
Bromide SCHEMBL7887350 0.74 L3MBTL1 (0.43) HTTL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL7050984 0.71 HTT (0.72) HTTALDH1A1KDM4ETSHRDRD4

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
US-5804577-A ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1998-09-08 US disclosed
EP-0761673-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1997-03-12 EP disclosed