SCHEMBL20649072

SCHEMBL20649072

NCCCNCc1ccc(-n2ccc(NC(=O)c3ccc(NC(=O)C(N)CO)cc3)nc2=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.37
TNIK Q9UKE5 1/20 0.34
HDAC1 Q13547 2/20 0.33
SLC2A1 P11166 2/20 0.33
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
P2RX3 P56373 1/20 0.32
LTA4H P09960 2/20 0.32
RAB9A P51151 1/20 0.31
CIT O14578 2/20 0.31
NAMPT P43490 2/20 0.31
SPHK2 Q9NRA0 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 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
SCHEMBL20649070 0.84 EPHX2 (0.35) TNIKHDAC1SLC2A1P2RX3LTA4H
SCHEMBL14130 0.79 MC4R (0.37) HDAC1OPRM1OPRK1OPRL1
SCHEMBL20648912 0.79 HDAC1 (0.34) TNIKHDAC1SLC2A1HDAC6
SCHEMBL20649005 0.74 SPHK1 (0.37) SPHK1JAK2JAK3RAB9ACIT
SCHEMBL20648866 0.71 SPHK1 (0.36) SPHK1HDAC1JAK2JAK3RAB9A
SCHEMBL14137 0.70 MC4R (0.42)
SCHEMBL20648941 0.70 CIT (0.50) SPHK1RAB9ACIT
SCHEMBL20648931 0.67 CA2 (0.34) SPHK1JAK2JAK3RAB9ACIT
SCHEMBL20649206 0.67 MAPT (0.45) SPHK1RAB9ACIT
SCHEMBL20649208 0.66 SPHK1 (0.34) SPHK1RAB9ACIT

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