SCHEMBL3245898

SCHEMBL3245898

CCCCNS(=O)(=O)c1ccc(C#N)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 5/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
BLM P54132 1/20 0.43
CASP7 P55210 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PNMT P11086 2/20 0.43
TP53 P04637 1/20 0.43
PKM P14618 3/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL20743845 0.84 PKM (0.54) MAPTGAAHTTMAPK1ALDH1A1
SCHEMBL30309604 0.84 PKM (0.54) MAPTGAAHTTMAPK1ALDH1A1
SCHEMBL14433417 0.82 HTT (0.58) MAPTGAAALOX12HTTLMNA
SCHEMBL2472213 0.81 ALDH1A1 (0.59) MAPTGAALMNAMAPK1ALDH1A1
SCHEMBL22558321 0.78 CYP19A1 (0.59) MAPTGAAALOX12HTTLMNA
SCHEMBL2472829 0.78 APEX1 (0.54) GAAALDH1A1KMT2AKDM4ETDP1
SCHEMBL19771455 0.77 LMNA (0.54) GAAHTTLMNAMAPK1SMN1; SMN2
SCHEMBL17430764 0.77 MAPK1 (0.63) MAPTGAAALOX12HTTLMNA
SCHEMBL1793139 0.77 MEN1 (0.49) MAPTLMNAMAPK1SMN1; SMN2ALDH1A1
SCHEMBL1015753 0.76 GAA (0.40) GAAHTTLMNAALDH1A1KDM4E

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-2010002998-A1 2,4,6-TRISUBSTITUTED PYRIDO (3,2-d) PYRIMIDINES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2010-01-07 WO disclosed