SCHEMBL16348706

SCHEMBL16348706

Cn1nc(Cc2ccccc2)c2c1N(O)C(=O)[C@@H](N(C(=O)O)C(C)(C)C)C2

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 13/20 0.64
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 1/20 0.32
RIPK1 Q13546 1/20 0.31

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
SCHEMBL16348700 0.84 AADAT (0.64) AADATCA12CA9
SCHEMBL15493549 0.80 AADAT (0.77) AADATCA12CA9TSHR
SCHEMBL14052940 0.79 AADAT (1.00) AADAT
SCHEMBL9912456 0.77 AADAT (0.62) AADATRIPK1
SCHEMBL16348707 0.71 AADAT (0.62) AADATTSHRRIPK1
SCHEMBL14053143 0.69 AADAT (0.62) AADATTSHRRIPK1
SCHEMBL14053208 0.68 AADAT (0.66) AADATTSHR
SCHEMBL9912473 0.67 AADAT (1.00) AADAT
SCHEMBL3774144 0.66 KMT2A (0.34) AADATRIPK1
SCHEMBL9912477 0.66 AADAT (1.00) AADAT

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-8933095-B2 KAT II inhibitors PFIZER INC. (US) 2015-01-13 US disclosed