SCHEMBL27733773

SCHEMBL27733773

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.44
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PLK1 P53350 1/20 0.38

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 0.92 HTR6 (0.46) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL27713331 0.88 HTR6 (0.48) HTR6PSEN1PSEN2APH1BNCSTN
SCHEMBL27641191 0.77 HTR6 (0.53) HTR6MEN1KMT2A
SCHEMBL3362896 0.76 HTR6 (0.44) HTR6
SCHEMBL27733781 0.76 KLK7 (0.47) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713337 0.75 HTR6 (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713443 0.75 AKR1C3 (0.48) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27713312 0.74 SMN1; SMN2 (0.49) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL28770869 0.74 LMNA (0.56) HTR6MEN1KMT2ALMNASMN1; SMN2
SCHEMBL27733689 0.73 ELANE (0.47) 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