SCHEMBL8839724

SCHEMBL8839724

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.94

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 13/20 0.94
MMP2 P08253 11/20 0.94
MEN1 O00255 2/20 0.74
KMT2A Q03164 2/20 0.74
POLB P06746 1/20 0.74
MMP7 P09237 1/20 0.71
NR3C1 P04150 1/20 0.71
KCNA5 P22460 1/20 0.70
ADAM17 P78536 1/20 0.67

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
SCHEMBL14602247 0.97 MMP9 (1.00) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7386419 0.97 MMP9 (1.00) MMP9MMP2MEN1KMT2APOLB
SCHEMBL6720186 0.92 MMP9 (0.89) MMP9MMP2MEN1KMT2APOLB
SCHEMBL5191094 0.92 MMP9 (0.89) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7301154 0.91 MMP9 (1.00) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7468980 0.89 MMP9 (0.83) MMP9MMP2MEN1KMT2APOLB
SCHEMBL8603495 0.89 MMP9 (0.83) MMP9MMP2MEN1KMT2APOLB
SCHEMBL7468990 0.89 MMP9 (0.83) MMP9MMP2MEN1KMT2APOLB
SCHEMBL3154749 0.89 MMP9 (0.88) MMP9MMP2MEN1KMT2APOLB
SCHEMBL22500298 0.89 MMP9 (0.83) MMP9MMP2MEN1KMT2APOLB

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-5650428-A THROMBOXANE A2 ANTAGONISM NKK CORPORATION (JP) 1997-07-22 US disclosed