SCHEMBL9064494

SCHEMBL9064494

CCN(CC)CCNC(=O)c1cccc(N)c1N

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.79
KDM4E B2RXH2 2/20 0.79
HPGD P15428 1/20 0.79
LMNA P02545 5/20 0.57
SLC22A1 O15245 2/20 0.57
ACHE P22303 2/20 0.57
TSHR P16473 2/20 0.57
SLC22A2 O15244 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 3/20 0.56
PMP22 Q01453 1/20 0.56
ADRA2A P08913 3/20 0.52
CYP2D6 P10635 3/20 0.52
DRD3 P35462 3/20 0.52
KCNH2 Q12809 3/20 0.52
CYP1A2 P05177 2/20 0.52
DRD2 P14416 2/20 0.52
HTR2B P41595 2/20 0.52
HTR3E A5X5Y0 1/20 0.52

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
SCHEMBL11374040 0.88 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL21695406 0.79 ALDH1A1 (0.82) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL3947760 0.78 NAAA (0.62) ALDH1A1HPGDLMNATSHRSMN1; SMN2
SCHEMBL24503506 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDLMNASLC22A1
Salethamide SCHEMBL588724 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL12447795 0.78 HPGD (0.71) ALDH1A1KDM4EHPGDLMNASLC22A1
Hydrochloric Acid SCHEMBL11570162 0.77 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL11755479 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL11755946 0.77 ALDH1A1 (0.70) ALDH1A1KDM4EHPGDLMNASLC22A1
SCHEMBL28856743 0.77 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDLMNASLC22A1

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-5514676-A TO INHIBIT THE FORMATION OF ADVANCED GLYCOSLYATION PRODUCTS BY THE NONENZYMATIC CROSSLINKING OF PROTEINS WITH REDUCING SUGARS, USED IN FOOD PRESERVATION AND TO PREVENT PROTEIN AGING IN COLLAGEN OR LENSES IN THE EYE PRESERVATION THE ROCKEFELLER UNIVERSITY (US) 1996-05-07 US disclosed