SCHEMBL4454174

SCHEMBL4454174

CCc1ccc(NNCCO)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 4/20 0.43
HPGD P15428 3/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
APAF1 O14727 1/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 4/20 0.42
LMNA P02545 3/20 0.42
AGTR1 P30556 1/20 0.42
SRC P12931 1/20 0.41

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
Sulfuric Acid SCHEMBL11640214 0.91 HPGD (0.44) ALDH1A1GAAHPGDPOLBMEN1
SCHEMBL19307314 0.85 CA12 (0.35) ALDH1A1GAAPOLBAPAF1MAPT
SCHEMBL10676866 0.79 ALDH1A1 (0.55) ALDH1A1GAAHPGDPOLBMEN1
SCHEMBL28200150 0.79 GAA (0.44) ALDH1A1GAAHPGDPOLBMEN1
SCHEMBL11035100 0.76 TP53 (0.50) ALDH1A1GAAPOLBMEN1MAPT
SCHEMBL9284400 0.74 ALDH1A1 (0.50) ALDH1A1GAAPOLBMAPTALOX12
Phosphoric Acid SCHEMBL28856226 0.73 SRC (0.54) ALDH1A1GAAHPGDPOLBMEN1
Sulfuric Acid SCHEMBL28856290 0.73 HPGD (0.47) ALDH1A1GAAHPGDPOLBMEN1
Oxalic Acid SCHEMBL28200113 0.73 ALDH1A1 (0.47) ALDH1A1GAAHPGDPOLBMEN1
SCHEMBL26735733 0.72 ALDH1A1 (0.45) ALDH1A1GAAHPGDPOLBMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3937613-A DEVICE FOR THE DETERMINATION OF CHLORINE IN THE WATER OF SWIMMING POOLS ALPHA CHEMICALS (AUSTRALIA) PTY. LIMITED (AU) 1976-02-10 US claimed
US-7491546-B2 Reagent delivery and photometric chlorine analysis INDUSTRIAL TEST SYSTEMS, INC. (US) 2009-02-17 US disclosed
US-20060073603-A1 Reagent delivery and photometric chlorine analysis INDUSTRIAL TEST SYSTEMS, INC. 2006-04-06 US disclosed
US-3937613-A DEVICE FOR THE DETERMINATION OF CHLORINE IN THE WATER OF SWIMMING POOLS ALPHA CHEMICALS (AUSTRALIA) PTY. LIMITED (AU) 1976-02-10 US disclosed
US-3937613-A DEVICE FOR THE DETERMINATION OF CHLORINE IN THE WATER OF SWIMMING POOLS ALPHA CHEMICALS (AUSTRALIA) PTY. LIMITED (AU) 1976-02-10 US disclosed