SCHEMBL27733652

SCHEMBL27733652

CC(=O)N1CCc2cc(C=CCS(=O)(=O)n3ccc4cc(C(F)(F)F)ccc43)ccc21.CCC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
TRIM24 O15164 1/20 0.39
HTR6 P50406 3/20 0.36
NPY2R P49146 2/20 0.35
POLB P06746 4/20 0.35
RXFP1 Q9HBX9 1/20 0.35
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL27733953 0.89 NOTUM (0.43) NOTUMLMNATSHRHTTGAA
SCHEMBL27733718 0.84 KCNH2 (0.39) HTR6MAPT
SCHEMBL27713347 0.81 TRPM8 (0.38)
SCHEMBL28791617 0.80 HTR6 (0.35) SMN1; SMN2HTR6POLB
SCHEMBL27910315 0.80 HTR6 (0.37) HTR6
SCHEMBL28770874 0.78 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL27733892 0.78 TP53 (0.35) SMN1; SMN2RAB9AMAPT
SCHEMBL27713453 0.78 AKR1B1 (0.34) SMN1; SMN2POLBRAB9AMAPT
SCHEMBL27733685 0.78 PPARG (0.37) HTR6POLBRAB9A
SCHEMBL27733722 0.77 NOTUM (0.48) NOTUMLMNATSHRHTTSMN1; 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