SCHEMBL28690186

SCHEMBL28690186

Cc1ccc(S(=O)(=O)NC(Cc2ccc(C#N)cc2)C(=O)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.72
MMP2 P08253 12/20 0.62
MMP9 P14780 10/20 0.62
ADAMTS4 O75173 1/20 0.57
MMP3 P08254 4/20 0.57
MMP13 P45452 4/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 1/20 0.55
MMP1 P03956 3/20 0.53
MMP7 P09237 3/20 0.53
ADAMTS5 Q9UNA0 1/20 0.52

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
SCHEMBL28690184 1.00 TDP1 (0.72) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL7984346 0.88 TDP1 (0.56) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL18049268 0.86 MMP2 (0.61) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL19923004 0.86 MMP2 (0.61) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL8445799 0.85 MMP2 (0.86) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL4522161 0.85 TDP1 (0.79) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL6252463 0.85 TDP1 (0.79) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL8063645 0.84 TDP1 (0.78) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL697476 0.84 MMP2 (0.79) TDP1MMP2MMP9ADAMTS4MMP3
SCHEMBL697477 0.84 MMP2 (0.79) TDP1MMP2MMP9ADAMTS4MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114085911-B Method for detecting tumor cells or tumor cell fragments 珠海圣美生物诊断技术有限公司 2022-05-17 CN claimed
CN-114457159-A Method for detecting tumor cells or tumor cell fragments 珠海圣美生物诊断技术有限公司 2022-05-10 CN claimed
CN-114085911-A Method for detecting tumor cells or tumor cell fragments 珠海圣美生物诊断技术有限公司 2022-02-25 CN claimed