SCHEMBL6949092

SCHEMBL6949092

O=C1Nc2ccc(S(=O)(=O)NCC3CC3)cc2C1(Cl)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.54
HTR2B P41595 1/20 0.54
PARG Q86W56 1/20 0.53
PKLR P30613 1/20 0.53
GBA1 P04062 1/20 0.49
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPY5R Q15761 2/20 0.44
LMNA P02545 1/20 0.43
NPY1R P25929 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL6954313 0.83 ALDH1A1 (0.60) SMN1; SMN2LMNAKMT2AMEN1ALDH1A1
SCHEMBL6951305 0.79 MGAT2 (0.60) PKLRCA9SMN1; SMN2LMNAALDH1A1
SCHEMBL2203522 0.76 SMYD3 (0.59) HTR2CHTR2BPARGLMNATP53
SCHEMBL6943633 0.75 ALDH1A1 (0.58) PKLRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7812463 0.75 MGAT2 (0.56) PKLRCA9SMN1; SMN2LMNAALDH1A1
SCHEMBL6954051 0.74 PKLR (0.55) PKLRCA1CA2CA9KMT2A
SCHEMBL30555219 0.74 PKLR (0.55) PKLRCA1CA2CA9KMT2A
SCHEMBL6950254 0.73 PKLR (0.50) PARGPKLRCA1CA2HDAC8
SCHEMBL6947428 0.73 PKLR (0.52) PKLRSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL6950845 0.73 ALDH1A1 (0.57) PKLRSMN1; SMN2KMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP claimed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US claimed
EP-0988035-B1 CASPASES AND APOPTOSIS SMITHKLINE BEECHAM CORP (US) 2003-05-02 EP disclosed
US-6214858-B1 PREVENTING AND TREATING EXCESSIVE CELL DEATH USING OXINDOLE DERIVATIVES SMITHKLINE BEECHAM CORPORATION 2001-04-10 US disclosed