SCHEMBL10143533

SCHEMBL10143533

O=S(=O)(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cc3ccccc3s2)c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.44
CA2 P00918 1/20 0.43
KCNN4 O15554 1/20 0.43
KCNA3 P22001 1/20 0.43
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
MMP2 P08253 1/20 0.40
TP53 P04637 3/20 0.40
RORC P51449 1/20 0.39
MAPT P10636 4/20 0.39

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
SCHEMBL10143580 0.88 CA2 (0.54) CYP3A4CYP2D6CYP2C9CYP2C19L3MBTL1
SCHEMBL10143428 0.76 ALDH3A1 (0.44) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL10143525 0.71 MEN1 (0.59) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL10143761 0.70 MEN1 (0.58) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL10143762 0.69 CYP3A4 (0.54) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL5915295 0.69 MEN1 (1.00) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL10143759 0.68 MEN1 (0.56) MEN1KMT2ACYP3A4CYP2D6CYP2C9
SCHEMBL13653288 0.68 CCR2 (0.59) CA2
SCHEMBL5953051 0.68 CA2 (0.49) MEN1KMT2ACA2MAPTPOLB
SCHEMBL10143544 0.68 KMT2A (0.54) MEN1KMT2ACYP3A4CYP2D6CYP2C9

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-2012009258-A2 PEPTIDOMIMETIC GALANIN RECEPTOR MODULATORS ROBERTS EDWARD (US) 2012-01-19 WO disclosed