SCHEMBL6950845

SCHEMBL6950845

O=C1Nc2ccc(S(=O)(=O)NCc3ccco3)cc2C1(Cl)Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
PKM P14618 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 1/20 0.54
USP2 O75604 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
PKLR P30613 1/20 0.49
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47

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
SCHEMBL6951305 0.80 MGAT2 (0.60) ALDH1A1PKMSMN1; SMN2POLBHPGD
SCHEMBL14111832 0.80 ALDH1A1 (0.58) ALDH1A1PKMKMT2ASMN1; SMN2GAA
SCHEMBL7812463 0.76 MGAT2 (0.56) ALDH1A1PKMSMN1; SMN2POLBHPGD
SCHEMBL26538720 0.74 ALDH1A1 (0.61) ALDH1A1PKMKMT2ASMN1; SMN2GAA
SCHEMBL25248439 0.74 KMT2A (0.68) ALDH1A1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL31490088 0.73 ATM (0.64) ALDH1A1PKMKMT2ASMN1; SMN2GAA
SCHEMBL23768821 0.73 ATM (0.64) ALDH1A1PKMKMT2ASMN1; SMN2GAA
SCHEMBL6949092 0.73 HTR2C (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1PKLR
SCHEMBL6943633 0.72 ALDH1A1 (0.58) ALDH1A1PKMKMT2ASMN1; SMN2GAA
SCHEMBL28221694 0.72 KMT2A (0.68) ALDH1A1PKMKMT2ASMN1; SMN2GAA

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