SCHEMBL20649100

SCHEMBL20649100

CN(C)CCN(C)CC#CCn1ccc(NC(O)c2ccc(NC(=O)C(N)CO)cc2)nc1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.32
MAPT P10636 1/20 0.32
CIT O14578 2/20 0.30

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
SCHEMBL20648877 0.71 MAPT (0.34) MAPT
SCHEMBL20649206 0.71 MAPT (0.45) SPHK1MAPTCIT
SCHEMBL20648866 0.68 SPHK1 (0.36) SPHK1MAPTCIT
SCHEMBL20648979 0.68 SPHK1 (0.34) SPHK1MAPTCIT
SCHEMBL20649208 0.68 SPHK1 (0.34) SPHK1MAPTCIT
SCHEMBL20649244 0.67 UTS2R (0.30)
SCHEMBL20649005 0.64 SPHK1 (0.37) SPHK1MAPTCIT
SCHEMBL105378 0.60 SPHK1 (0.57) SPHK1MAPTCIT
SCHEMBL6287897 0.60 SPHK1 (0.56) SPHK1CIT
SCHEMBL20648931 0.59 CA2 (0.34) SPHK1CIT

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-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed