SCHEMBL16348707

SCHEMBL16348707

CC(C)(C)N(C(=O)O)[C@H]1Cc2cn(Cc3ccccc3)nc2N(O)C1=O

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 13/20 0.62
RIPK1 Q13546 4/20 0.37
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
STAT6 P42226 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL9912514 0.77 AADAT (1.00) AADAT
SCHEMBL9912518 0.76 AADAT (0.60) AADATRIPK1ALDH1A1
SCHEMBL3774144 0.76 KMT2A (0.34) AADATRIPK1GAA
SCHEMBL14136631 0.75 AADAT (0.71) AADATRIPK1HTR2CTSHR
SCHEMBL16348700 0.75 AADAT (0.64) AADAT
SCHEMBL14053143 0.73 AADAT (0.62) AADATRIPK1ALDH1A1CYP1A2CYP3A4
SCHEMBL14053208 0.73 AADAT (0.66) AADATALDH1A1CYP1A2CYP3A4GAA
SCHEMBL16348706 0.71 AADAT (0.64) AADATRIPK1TSHR
SCHEMBL4897407 0.68 CYP1A2 (0.39) RIPK1ALDH1A1CYP1A2CYP3A4GAA
SCHEMBL4889310 0.67 RIPK1 (0.41) RIPK1

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