SCHEMBL14070685

SCHEMBL14070685

O=C(NCc1ccccn1)c1ccc(N2CCCCN2C(=O)C2Cc3ccccc3N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
ROCK2 O75116 2/20 0.44
MELK Q14680 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
ITGA2B P08514 1/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
MAPK14 Q16539 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 2/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL14071486 0.82 KDM4E (0.38) NAMPTALDH1A1MAPK1RAB9AITGB3
SCHEMBL14070689 0.77 NAMPT (0.52) NAMPTALDH1A1LMNANPC1POLB
SCHEMBL166484 0.66 LMNA (0.82) ALDH1A1LMNANPC1POLBRAB9A
SCHEMBL21768049 0.65 LMNA (0.76) NAMPTALDH1A1LMNANPC1POLB
SCHEMBL14073993 0.65 GAA (0.61) HPGD
SCHEMBL20525051 0.65 LMNA (0.67) NAMPTALDH1A1LMNANPC1POLB
Hydrochloric Acid SCHEMBL27843329 0.65 LMNA (0.80) ALDH1A1LMNANPC1POLBRAB9A
SCHEMBL18031536 0.64 LMNA (0.74) NAMPTALDH1A1LMNANPC1POLB
SCHEMBL11626590 0.64 POLB (0.74) ALDH1A1LMNANPC1POLBRAB9A
SCHEMBL4999846 0.64 GAA (0.59) POLBHPGD

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-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed