SCHEMBL1026458

SCHEMBL1026458

CCNCCN(C(=O)CNCC(=O)N(C)N1Cc2ccc(F)cc2C1)c1ccc(-c2nc(C(N)=O)cs2)cc1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.33
MAPT P10636 3/20 0.32
NPC1 O15118 1/20 0.32
CLK1 P49759 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.32
HCRTR1 O43613 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
POLB P06746 1/20 0.30
PRMT1 Q99873 1/20 0.30
ACKR3 P25106 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
Hydrochloric Acid SCHEMBL1026657 0.99 NAMPT (0.32) NAMPTMAPTNPC1CLK1RAB9A
Hydrochloric Acid SCHEMBL1025217 0.94 MAPT (0.32) NAMPTMAPTNPC1CLK1RAB9A
SCHEMBL1027790 0.92 ACHE (0.34) MAPTNPC1CLK1RAB9ATP53
Hydrochloric Acid SCHEMBL1197632 0.92 AHCY (0.35) MAPTNPC1CLK1RAB9ATP53
Hydrochloric Acid SCHEMBL1197527 0.87 HSD17B1 (0.32) MAPTNPC1CLK1RAB9AHCRTR1
Hydrochloric Acid SCHEMBL1027888 0.86 AHCY (0.35) MAPTNPC1CLK1RAB9A
Hydrochloric Acid SCHEMBL1027430 0.86 PDE4B (0.31)
SCHEMBL11974093 0.84 AHCY (0.43) NAMPTMAPTNPC1CLK1RAB9A
SCHEMBL11974002 0.80 AHCY (0.43) NAMPTMAPTNPC1CLK1RAB9A
SCHEMBL1028398 0.80 NAMPT (0.36) NAMPT

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
EP-2275404-A1 HOMOCYSTEINE SYNTHASE INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2011-01-19 EP disclosed