SCHEMBL6273471

SCHEMBL6273471

CC(C)(C(N)=O)C1Cc2ccccc2C1=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.49
METAP1 P53582 4/20 0.42
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HBB P68871 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TSHR P16473 1/20 0.38
CYP19A1 P11511 1/20 0.36
MAPK1 P28482 1/20 0.35
ATM Q13315 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
SCHEMBL4221590 0.80 ACHE (0.58) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL1855652 0.80 ACHE (0.58) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL30022661 0.80 ACHE (0.58) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL11523523 0.73 ACHE (0.53) ACHEMETAP1MAPTKMT2AKDM4E
SCHEMBL5311960 0.71 KMT2A (0.55) ACHEMETAP1NOTUMMAPTKMT2A
SCHEMBL19836626 0.71 ALDH1A1 (0.54) ACHEMETAP1ALDH1A1HBBHSD17B10
Trifluoromethanesulfonic Acid SCHEMBL28512188 0.71 ACHE (0.44) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL29769613 0.69 MAPT (0.49) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL6117763 0.69 MAPT (0.49) ACHEMETAP1ALDH1A1HBBHSD17B10
SCHEMBL856747 0.68 ACHE (0.56) ACHEMETAP1ALDH1A1MAPTKMT2A

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-2005097093-A1 SLEEP INDUCING COMPOUNDS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2005-10-20 WO disclosed