SCHEMBL3636698

SCHEMBL3636698

O=S(=O)(c1ccc(Br)cn1)N1CCSCC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 2/20 0.41
TDO2 P48775 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.36
TRPV4 Q9HBA0 2/20 0.36
PNMT P11086 1/20 0.34
TSHR P16473 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL2992907 0.85 USP2 (0.46) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL16990245 0.82 ABL1 (0.44) LMNASMN1; SMN2ALDH1A1KDM4ETSHR
SCHEMBL26983350 0.81 LMNA (0.52) L3MBTL1LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL4262633 0.81 LMNA (0.50) L3MBTL1LMNASMN1; SMN2ALDH1A1TSHR
SCHEMBL2991150 0.79 APEX1 (0.40) LMNATDO2ALDH1A1KDM4EGLA
SCHEMBL12751738 0.78 HTT (0.52) L3MBTL1LMNAALDH1A1TSHR
SCHEMBL4775470 0.76 L3MBTL1 (0.63) L3MBTL1LMNAALDH1A1GLATSHR
SCHEMBL5307608 0.76 ALDH1A1 (0.47) L3MBTL1ALDH1A1KDM4E
SCHEMBL6111481 0.73 HSD11B1 (0.48)
SCHEMBL5303626 0.72 RAB9A (0.47) LMNAALDH1A1KDM4ETSHR

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-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed