SCHEMBL6847524

SCHEMBL6847524

CC(C)C[C@@H](C(=O)NO)N1C(=O)C[S+]([O-])[C@H]1c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 4/20 0.35
AVPR1A P37288 1/20 0.35
CCR1 P32246 2/20 0.34
ANPEP P15144 1/20 0.34
TP53 P04637 2/20 0.34
MMP2 P08253 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
ADAM17 P78536 1/20 0.33
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32

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
SCHEMBL6847520 1.00 MDM2 (0.35) MDM2AVPR1ACCR1ANPEPTP53
Hydroxyamine SCHEMBL5793570 0.87 MDM2 (0.43) MDM2CCR1TP53
SCHEMBL5746150 0.76 LMNA (0.43) MDM2AVPR1ACCR1ANPEPTP53
SCHEMBL5746146 0.76 LMNA (0.43) MDM2AVPR1ACCR1ANPEPTP53
SCHEMBL5747229 0.64 KMT2A (0.53) ANPEP
SCHEMBL5747156 0.63 HTT (0.52) MDM2
SCHEMBL5747158 0.63 HTT (0.52) MDM2
SCHEMBL5747163 0.63 HTT (0.52) MDM2
SCHEMBL15972682 0.63 MDM2 (0.77) MDM2TP53
SCHEMBL15972924 0.63 MDM2 (0.77) MDM2TP53

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-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed