SCHEMBL10611069

SCHEMBL10611069

Cc1ccc(S(=O)(=O)N[C@@H](CN[C@@H](Cc2c[nH]cn2)C(=O)O)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ MMP2 P08253 8/20 0.44
▸ MMP9 P14780 7/20 0.44
▸ MMP13 P45452 3/20 0.43
▸ MMP3 P08254 2/20 0.43
▸ ITGB3 P05106 4/20 0.42
▸ ITGAV P06756 2/20 0.42
▸ SLC1A3 P43003 1/20 0.41
▸ SLC1A2 P43004 1/20 0.41
▸ SLC1A1 P43005 1/20 0.41
▸ MMP1 P03956 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.40
▸ ADAM17 P78536 3/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ ITGA2B P08514 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL5173100 0.92 TDP1 (0.57) TDP1MMP2MMP9MMP13MMP3
SCHEMBL9221798 0.92 TDP1 (0.57) TDP1MMP2MMP9MMP13MMP3
SCHEMBL6514467 0.92 TDP1 (0.57) TDP1MMP2MMP9MMP13MMP3
SCHEMBL7382028 0.85 TSHR (0.50) TDP1MMP2MMP9MMP13MMP3
Imidazole SCHEMBL7269081 0.85 TDP1 (0.49) TDP1MMP2MMP9MMP13MMP3
Imidazole SCHEMBL28169637 0.85 TDP1 (0.49) TDP1MMP2MMP9MMP13MMP3
SCHEMBL7335677 0.84 KCNA5 (0.45) TDP1MMP2MMP9MMP13MMP3
SCHEMBL10586916 0.84 TDP1 (0.44) TDP1MMP2MMP9MMP13MMP3
SCHEMBL10612379 0.82 MMP9 (0.46) TDP1MMP2MMP9MMP13MMP3
SCHEMBL10914765 0.82 MMP2 (0.48) TDP1MMP2MMP9MMP13MMP3

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-4743614-A RESTORATIVE PROPERTIES INC IMMUNODEFICIENT HOSTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-10 — — US disclosed
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