SCHEMBL27713331

SCHEMBL27713331

CC(C)C(=O)Oc1cn(S(=O)(=O)c2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 15/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
PLK1 P53350 1/20 0.42

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
SCHEMBL27733771 0.89 HTR6 (0.46) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27733773 0.88 HTR6 (0.44) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27733781 0.88 KLK7 (0.47) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713443 0.87 AKR1C3 (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713337 0.87 HTR6 (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28770869 0.86 LMNA (0.56) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713312 0.86 SMN1; SMN2 (0.49) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27733689 0.85 ELANE (0.47) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713327 0.85 MEN1 (0.43) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713295 0.84 KMT2A (0.40) HTR6MEN1KMT2ALMNASMN1; SMN2

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
CN-101248044-B Indole compounds FOURNIER LAB SA 2012-05-30 CN disclosed
CN-101248044-A Novel indole compounds FOURNIER LAB SA (FR) 2008-08-20 CN disclosed