SCHEMBL28111895

SCHEMBL28111895

O=C(NCc1cccnc1)Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 1.00
KDM4E B2RXH2 1/20 0.74
ALDH1A1 P00352 1/20 0.74
LMNA P02545 1/20 0.74
MAPT P10636 1/20 0.74
HTT P42858 1/20 0.74
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
CYP2C9 P11712 1/20 0.69
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64

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
SCHEMBL164075 0.89 NAMPT (0.84) NAMPTCYP2C9
SCHEMBL13603754 0.89 NAMPT (0.80) NAMPTKDM4EALDH1A1LMNAMAPT
SCHEMBL11614852 0.88 SMN1; SMN2 (0.81) NAMPTLMNAHTTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL29131270 0.87 SMN1; SMN2 (0.79) NAMPTLMNAHTTKMT2AMEN1
SCHEMBL15583798 0.87 NAMPT (0.76) NAMPTKDM4EALDH1A1LMNAMAPT
SCHEMBL20379359 0.86 NAMPT (0.85) NAMPTKDM4EKMT2AMEN1POLB
SCHEMBL11615046 0.86 HTT (0.76) NAMPTLMNAHTTSMN1; SMN2
SCHEMBL166487 0.85 MAPT (1.00) NAMPTKDM4EALDH1A1LMNAMAPT
SCHEMBL12334453 0.85 NAMPT (0.73) NAMPTKMT2AMEN1CYP2C9POLB
SCHEMBL12335465 0.85 NAMPT (0.75) NAMPTKMT2AMEN1CYP2C9POLB

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
CN-103270023-B 4- { [ (pyridin-3-yl-methyl) aminocarbonyl ] amino } benzene-sulfone derivatives as NAMPT inhibitors for the treatment of diseases such as cancer 福马TM有限责任公司 2016-11-02 CN claimed