SCHEMBL8288305

SCHEMBL8288305

C=C1OB(c2ccc(CCNS(=O)(=O)c3ccccc3C#N)cc2)OC1=C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
LSS P48449 1/20 0.38
NSD2 O96028 2/20 0.38
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 4/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL13611591 0.85 SMN1; SMN2 (0.35) SMN1; SMN2LSSNSD2KMT2AALDH1A1
SCHEMBL13604119 0.83 CA1 (0.44) SMN1; SMN2LSSNSD2ALDH1A1CA1
SCHEMBL8288351 0.83 TP53 (0.42) SMN1; SMN2NSD2KMT2AALDH1A1CA1
SCHEMBL8288313 0.83 CA1 (0.42) SMN1; SMN2NSD2KMT2AALDH1A1CA1
SCHEMBL8289277 0.80 ALDH1A1 (0.57) SMN1; SMN2KMT2AALDH1A1CA1CA2
SCHEMBL8288312 0.80 LSS (0.56) SMN1; SMN2LSSKMT2AALDH1A1CA1
SCHEMBL8289264 0.78 LSS (0.43) LSSKMT2AALDH1A1CA1CA2
SCHEMBL8289308 0.74 PKM (0.59) ALDH1A1HTT
SCHEMBL13611732 0.73 MEN1 (0.60) SMN1; SMN2LSSKMT2AALDH1A1CA1
SCHEMBL8287311 0.73 ALDH1A1 (0.68) SMN1; SMN2KMT2AALDH1A1CA1CA2

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-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
WO-2005040110-A1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2005-05-06 WO disclosed