SCHEMBL2593202

SCHEMBL2593202

O=S(=O)(Cc1ccccc1)Cc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
KMT2A Q03164 2/20 0.49
LMNA P02545 2/20 0.49
CYP3A4 P08684 2/20 0.46
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.45
FAAH O00519 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
PRSS3 P35030 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
CA9 Q16790 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL9600152 0.90 KMT2A (0.50) SMN1; SMN2KMT2ALMNAMAPTL3MBTL1
SCHEMBL2592540 0.86 KCNA5 (0.55) SMN1; SMN2KMT2ACYP3A4MAPT
SCHEMBL2585047 0.82 KDM4E (0.53) SMN1; SMN2KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL8361647 0.81 LMNA (0.49) SMN1; SMN2KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL88641 0.79 CA2 (0.64) SMN1; SMN2KMT2ALMNAFAAHPRSS1
SCHEMBL28641442 0.79 HRH1 (0.52) SMN1; SMN2KMT2ALMNAMAPTL3MBTL1
SCHEMBL1272066 0.79 L3MBTL1 (0.45) SMN1; SMN2KMT2ALMNAMAPTL3MBTL1
SCHEMBL5432527 0.79 TDP1 (0.47) SMN1; SMN2KMT2ALMNACYP3A4MAPT
Phenylmethanesulfonic Acid SCHEMBL6115229 0.77 TDP1 (0.50) SMN1; SMN2KMT2ALMNACYP3A4MAPT
SCHEMBL28332352 0.77 CA2 (0.61) SMN1; SMN2KMT2ALMNAFAAHPRSS1

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
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed
WO-2011138266-A1 INDOLIZINE AND IMIDAZOPYRIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-11-10 WO disclosed