SCHEMBL8477799

SCHEMBL8477799

CS(=O)(=O)Nc1cc(NC(=O)c2ccc(N3CCNCC3)cc2)ccc1OCCO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
NPC1 O15118 4/20 0.44
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ITGA2 P17301 1/20 0.44
MAPT P10636 7/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 3/20 0.42
RAB9A P51151 3/20 0.42
ALOX15 P16050 2/20 0.42
ALDH1A1 P00352 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL8325472 0.89 ITGB3 (0.47) USP28SIRT2SIRT1SIRT3NPC1
SCHEMBL7445049 0.78 MAPT (0.62) SIRT2SIRT1SIRT3NPC1MAPT
Pyridine SCHEMBL8631988 0.77 SIRT2 (0.47) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL8321319 0.73 ITGB3 (0.51) SIRT2SIRT1SIRT3NPC1ITGB3
SCHEMBL7445054 0.73 MCHR1 (0.49) MAPTKMT2AMEN1HSD17B10ALOX15
SCHEMBL24891825 0.73 RAB9A (0.64) NPC1ITGB3ITGA2BMAPTKMT2A
Hydrochloric Acid SCHEMBL7437697 0.72 MCHR1 (0.48) MAPTKMT2AMEN1HSD17B10ALOX15
SCHEMBL8318988 0.72 MAPT (0.57) NPC1ITGB3ITGA2BITGA2MAPT
SCHEMBL8661696 0.72 MAPT (0.47) NPC1MAPTKMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL8580184 0.71 MAPT (0.46) ITGB3ITGA2BITGA2MAPTKMT2A

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
US-5990107-A ADMINISTERING TO INHIBIT THE BINDING OF FIBRINOGEN TO BLOOD PLATELETS IN A MAMMAL; OR TO INHIBIT OSTEOCLAST MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1999-11-23 US disclosed