SCHEMBL874291

SCHEMBL874291

CC(C)CCNC(=O)c1ccc(-c2ccc(NC(=O)c3cc4cccnc4s3)cc2)nc1NC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
DYRK1A Q13627 1/20 0.38
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
NAMPT P43490 2/20 0.36
FLT3 P36888 2/20 0.36
TYRO3 Q06418 2/20 0.36
MERTK Q12866 2/20 0.36
GAS6 Q14393 2/20 0.36
KMT2A Q03164 2/20 0.35
SYK P43405 2/20 0.35
ATM Q13315 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL874837 0.88 KMT2A (0.37) CHRNA7BCHEACHENAMPTKMT2A
SCHEMBL873877 0.88 CHRNA7 (0.42) CHRNA7BCHEACHENAMPTSYK
SCHEMBL873584 0.88 KMT2A (0.40) NAMPTKMT2ASYKATMRXFP1
SCHEMBL873721 0.87 BCHE (0.39) CHRNA7BCHEACHENAMPTFLT3
SCHEMBL875500 0.86 ATR (0.41) CHRNA7NAMPTSYKDRD2DRD3
SCHEMBL882629 0.85 CHRNA7 (0.42) CHRNA7NAMPTKMT2ASYKATM
SCHEMBL873722 0.80 RXFP1 (0.38) CHRNA7NAMPTSYKATMRXFP1
SCHEMBL874082 0.80 MAPT (0.38) CHRNA7NAMPTKMT2AATMDRD2
SCHEMBL874515 0.79 ATR (0.43) CHRNA7NAMPTDRD2DRD3
SCHEMBL875501 0.79 CHRNA7 (0.40) CHRNA7DYRK1ABCHEACHENAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed
WO-2012038905-A1 THIENOPYRIDINE NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed