SCHEMBL8275184

SCHEMBL8275184

Nc1cccc(Cl)c1N1CCC(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 9/20 0.43
▸ ADAM10 O14672 1/20 0.39
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NAMPT P43490 3/20 0.38
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC2 Q92769 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ BDKRB1 P46663 1/20 0.36

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
SCHEMBL8275593 0.89 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPTHDAC8
SCHEMBL8221255 0.86 ADAM17 (0.55) ADAM17ADAM10MMP12MMP13MEN1
SCHEMBL8275600 0.82 ADAM17 (0.45) ADAM17ADAM10MMP12MMP13MEN1
SCHEMBL8274403 0.81 GRIN2D (0.43) ADAM17MEN1KMT2ANAMPT
SCHEMBL8274451 0.80 ADAM17 (0.45) ADAM17ADAM10MMP12MMP13MEN1
SCHEMBL8275194 0.79 ADAM17 (0.42) ADAM17MEN1KMT2ANAMPTHDAC8
SCHEMBL8275183 0.79 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPT
SCHEMBL8274407 0.79 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPT
SCHEMBL8276118 0.79 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPT
SCHEMBL13544350 0.79 ADAM17 (0.47) ADAM17ADAM10MMP12MMP13MEN1

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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