SCHEMBL9864681

SCHEMBL9864681

Cc1cccc(S(=O)(=O)Nc2c(C(=O)O)cccc2C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.58
ACLY P53396 1/20 0.58
MCL1 Q07820 2/20 0.58
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
KAT6A Q92794 2/20 0.52
FBP1 P09467 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
ALKBH2 Q6NS38 1/20 0.49
ALKBH3 Q96Q83 1/20 0.49
FTO Q9C0B1 1/20 0.49

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
SCHEMBL6417385 0.87 MEN1 (0.72) METAP2ACLYMCL1ALDH1A1MAPT
SCHEMBL28930113 0.85 METAP2 (0.62) METAP2ACLYMCL1ALDH1A1KMT2A
SCHEMBL9997289 0.80 PFKFB3 (0.61) MCL1ALDH1A1MAPTHPGDKMT2A
SCHEMBL9402850 0.80 MCL1 (0.67) METAP2ACLYMCL1ALDH1A1MAPT
SCHEMBL5326630 0.79 ACLY (0.72) METAP2ACLYMCL1ALDH1A1MAPT
SCHEMBL3554601 0.79 MEN1 (0.57) METAP2MCL1ALDH1A1MAPTHPGD
SCHEMBL9402983 0.79 ALDH1A1 (0.66) ALDH1A1MAPTHPGDKMT2AMEN1
SCHEMBL9090583 0.78 FBP1 (0.65) ALDH1A1MAPTHPGDKMT2AFBP1
SCHEMBL3982602 0.77 METAP2 (0.79) METAP2MCL1KMT2AMEN1FBP1
SCHEMBL3563792 0.77 MEN1 (0.55) METAP2MCL1ALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4999134-A For alkyd resin coating systems, aqueous and nonaqueous BASF AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed