SCHEMBL4379968

SCHEMBL4379968

N=C(NCc1ccccc1)Nc1cccc(C(=O)Nc2ccccc2[S+]([O-])[C@@H](CC(=O)O)c2cccnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
ITGB3 P05106 4/20 0.41
ITGAV P06756 4/20 0.41
ITGA2B P08514 2/20 0.41
NAMPT P43490 4/20 0.41
TSHR P16473 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
KCNK3 O14649 1/20 0.39
HDAC1 Q13547 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC1A2 P43004 1/20 0.38
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
SENP5 Q96HI0 1/20 0.37
SENP2 Q9HC62 1/20 0.37
SENP1 Q9P0U3 1/20 0.37

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
SCHEMBL2842662 1.00 ALDH1A1 (0.41) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL2834262 0.92 TSHR (0.49) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL2837837 0.92 SIRT2 (0.42) ALDH1A1ITGB3ITGAVITGA2BTSHR
SCHEMBL2832015 0.91 NAMPT (0.47) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL2836312 0.89 NAMPT (0.44) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL2836523 0.88 ADRB2 (0.44) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL2837043 0.88 ITGB3 (0.47) ITGB3ITGAVITGA2BKCNK3HDAC1
SCHEMBL2839299 0.86 ITGB3 (0.49) ITGB3ITGAVITGA2BKCNK3HDAC1
SCHEMBL2836929 0.84 NAMPT (0.46) ALDH1A1ITGB3ITGAVITGA2BNAMPT
SCHEMBL4379581 0.84 NAMPT (0.46) ALDH1A1ITGB3ITGAVITGA2BNAMPT

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