SCHEMBL16099460

SCHEMBL16099460

O=c1[nH]c(=O)c2[nH]c(CCCc3ccc(S(=O)(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc3)nc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.50
ADORA2A P29274 6/20 0.50
ADORA3 P0DMS8 2/20 0.50
LSS P48449 1/20 0.47
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HSD11B1 P28845 1/20 0.44
GAA P10253 1/20 0.43
ADORA1 P30542 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR1A P08908 2/20 0.41
HTR7 P34969 2/20 0.41
THRB P10828 1/20 0.40

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
SCHEMBL5250380 0.71 HSD11B1 (0.78) LSSKMT2AMEN1HSD11B1GAA
SCHEMBL1720832 0.69 ADORA2B (0.37) ADORA2BKMT2AMEN1GAAMAPT
SCHEMBL9901143 0.67 ADORA2B (0.60) ADORA2BADORA2AADORA3ADORA1
SCHEMBL17387706 0.66 ADORA2B (1.00) ADORA2BADORA2AADORA3ADORA1
SCHEMBL5251036 0.65 MAPT (0.75) LSSKMT2AMEN1HSD11B1LMNA
SCHEMBL5250329 0.65 MEN1 (0.85) LSSKMT2AMEN1HSD11B1LMNA
SCHEMBL5250449 0.65 HSD11B1 (0.64) LSSKMT2AMEN1HSD11B1LMNA
SCHEMBL2963235 0.65 ALDH1A1 (0.72) LSSKMT2AMEN1HSD11B1LMNA
SCHEMBL4049209 0.65 HTR1A (0.44) LSSKMT2AMEN1GAAMAPT
SCHEMBL5327436 0.63 HSD11B1 (0.65) LSSKMT2AMEN1HSD11B1GAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014153424-A1 REDUCING DIABETES IN PATIENTS RECEIVING HMG-COA REDUCTASE INHIBITORS (STATINS) LA JOLLA INSTITUTE FOR ALLERGY AND IMMUNOLOGY (US) 2014-09-25 WO disclosed