SCHEMBL4382965

SCHEMBL4382965

N=C(NCc1ccccc1)Nc1ccc(C(=O)Nc2ccc([C@@H](C(C(=O)O)=S(=O)=O)c3ccccc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
HDAC1 Q13547 1/20 0.44
POLB P06746 3/20 0.44
BLM P54132 1/20 0.44
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TPSAB1 Q15661 1/20 0.40
MIF P14174 1/20 0.40
F2 P00734 2/20 0.40
F7 P08709 2/20 0.40
F10 P00742 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
SCHEMBL4059253 0.83 NAMPT (0.61) NAMPTPOLBTP53MAPTMEN1
SCHEMBL7656460 0.75 POLB (0.60) HDAC1POLBBLMTP53MAPT
SCHEMBL2839499 0.75 ITGB3 (0.52) NAMPTHDAC1POLBBLMMAPT
SCHEMBL2837835 0.75 NAMPT (0.48) NAMPTHDAC1TP53MAPTMEN1
SCHEMBL2841991 0.74 LMNA (0.49) NAMPTMEN1KMT2AALDH1A1
SCHEMBL2833516 0.73 NAMPT (0.42) NAMPTHDAC1POLBBLMTP53
SCHEMBL2832025 0.72 NAMPT (0.49) NAMPTMAPTMEN1KMT2AF2
SCHEMBL4374052 0.71 LMNA (0.45) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL2842036 0.71 NAMPT (0.49) NAMPTHDAC1POLBSMN1; SMN2HTT
SCHEMBL15673962 0.71 HDAC1 (0.46) NAMPTHDAC1MEN1KMT2AHDAC2

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-2009061448-A9 METHODS AND COMPOSITIONS FOR THE TREATMENT OF PROTEINURIC DISEASES THE GENERAL HOSPITAL CORPORATION (US) 2009-08-13 WO disclosed