SCHEMBL7035233

SCHEMBL7035233

NC(=NO)Nn1cnc2cncnc21

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL27337608 0.81 HDAC1 (0.42) FDPSHDAC1HDAC6
SCHEMBL27930861 0.81 FDPS (0.38) FDPSHDAC1HDAC6
SCHEMBL27747628 0.77 FDPS (0.35) FDPSHDAC1HDAC6
SCHEMBL5828209 0.75 FDPS (0.40) FDPSHDAC1HDAC6
SCHEMBL3021750 0.72 FDPS (0.40) FDPSHDAC1HDAC6
SCHEMBL9356692 0.72 FDPS (0.40) FDPSHDAC1HDAC6
SCHEMBL10774226 0.71 FDPS (0.41) FDPSHDAC1HDAC6
SCHEMBL2126857 0.70 HDAC1 (0.49) FDPSHDAC1HDAC6
SCHEMBL20979882 0.70 HDAC1 (0.43) FDPSHDAC1HDAC6
Niacinamide SCHEMBL28587079 0.69 SIRT2 (0.51) HDAC1HDAC6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1290004-A1 METHOD OF IDENTIFYING CRITICAL POINTS WITHIN PROTEIN-PROTEIN INTERACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-03-12 EP disclosed
US-6365359-B1 IDENTIFYING PRP PHARMACORE BY DETERMINING FUNCTIONAL RESIDUES OF PROTEIN INVOLVED IN COMPLEX INTERACTIONS, DEVELOPING THREE DIMENSIONAL STRUCTURES, COMPARING THEM WITH OTHER COMPOUNDS AND IDENTIFYING COMPOUNDS CONSISTENT WITH BINDING TO PROTEIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-04-02 US disclosed
WO-2001087911-A1 METHOD OF IDENTIFYING CRITICAL POINTS WITHIN PROTEIN-PROTEIN INTERACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-11-22 WO disclosed