SCHEMBL27734636

SCHEMBL27734636

NCc1ccc(S(=O)(=O)Nc2ccc(C[C@H](N)C(=O)O)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
HDAC1 Q13547 3/20 0.50
GHSR Q92847 2/20 0.50
HTR6 P50406 2/20 0.49
SLC7A5 Q01650 2/20 0.49
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
KDM4E B2RXH2 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL27734638 1.00 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19234913 0.89 HDAC1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20715878 0.89 HDAC1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5078465 0.89 HDAC1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5607923 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31702460 0.88 CES1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5608211 0.88 CES1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL31689455 0.88 POLB (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL14422985 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL19234908 0.88 POLB (0.57) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA

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-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN claimed
CN-101400699-A Human glucagon-like-peptide-1 modulators and their use in the treatment of diabetes and related conditions BRISTOL MYERS SQUIBB CO (US) 2009-04-01 CN disclosed