SCHEMBL9329665

SCHEMBL9329665

O=C(CCl)NCc1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
GAA P10253 1/20 0.62
MAPT P10636 1/20 0.62
ATM Q13315 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NAMPT P43490 1/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.51
RAB9A P51151 1/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL15743424 0.85 ATM (0.58) ALDH1A1GAAMAPTATMNPSR1
SCHEMBL16610101 0.84 GAA (0.66) ALDH1A1GAAMAPTATMHSD17B10
SCHEMBL1286082 0.81 GAA (0.62) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL20824968 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTATMNPSR1
SCHEMBL8288448 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTATMNPSR1
SCHEMBL25094969 0.81 ALDH1A1 (0.67) ALDH1A1GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL2695688 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTATMNPSR1
SCHEMBL1812216 0.81 ALDH1A1 (0.62) ALDH1A1GAAMAPTATMNPSR1
SCHEMBL11704793 0.80 NAMPT (0.56) ALDH1A1MAPTSMN1; SMN2NAMPTHTT
SCHEMBL2636120 0.80 GAA (0.66) ALDH1A1GAAMAPTSMN1; SMN2LMNA

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
EP-0328251-B1 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation ICI PLC (GB) 1994-04-13 EP disclosed
US-4999377-A 2-(2-hydroxy-3-phenoxypropylamino)ethylphenoxyacetamide compounds; dietetics IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-03-12 US disclosed
EP-0386920-A2 2-Hydroxy-3-thienyloxypropylamino derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-09-12 EP disclosed
CN-1034918-A Chemical compound ICI PLC (GB) 1989-08-23 CN disclosed
EP-0328251-A2 2-(2-Hydroxy-3-phenoxypropylamino)ethylphenoxyacetamides and processes and intermediates for their preparation IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-08-16 EP disclosed