SCHEMBL9566484

SCHEMBL9566484

Cc1ccc(S(=O)(=O)OCC2CC23CCN(Cc2ccccc2)C3)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2D6 P10635 6/20 0.42
CYP3A4 P08684 3/20 0.42
CD4 P01730 2/20 0.42
SORT1 Q99523 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTR6 P50406 1/20 0.40

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
SCHEMBL9566488 0.85 CYP2D6 (0.48) CYP2D6CYP3A4CYP2C9CYP2C19TSHR
SCHEMBL20521052 0.79 CYP2D6 (0.41) LMNAPOLBALDH1A1CYP2D6CYP3A4
SCHEMBL8573781 0.77 CYP2D6 (0.46) LMNAPOLBALDH1A1CYP2D6CYP3A4
SCHEMBL14166152 0.77 SMN1; SMN2 (0.56) LMNAPOLBALDH1A1CD4SORT1
SCHEMBL8540877 0.75 HTR6 (0.54) LMNAPOLBALDH1A1CD4SORT1
SCHEMBL8540875 0.75 HTR6 (0.54) LMNAPOLBALDH1A1CD4SORT1
SCHEMBL1474768 0.74 SMN1; SMN2 (0.48) LMNAPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL1474765 0.74 SMN1; SMN2 (0.48) LMNAPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL1474769 0.74 SMN1; SMN2 (0.48) LMNAPOLBALDH1A1TSHRSMN1; SMN2
SCHEMBL1476146 0.74 SMN1; SMN2 (0.48) LMNAPOLBALDH1A1TSHRSMN1; 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
EP-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP claimed
EP-0550025-A1 Azaspiroheptanes and octanes and processes for their production KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed