SCHEMBL9762891

SCHEMBL9762891

CCCCS(=O)(=O)Nc1ccc(I)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.59
LMNA P02545 3/20 0.59
AR P10275 1/20 0.55
THRA P10827 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
AURKA O14965 1/20 0.48
KDR P35968 1/20 0.48
AURKB Q96GD4 1/20 0.48
BRD4 O60885 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
KIT P10721 3/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
NAMPT P43490 1/20 0.44
SGK1 O00141 1/20 0.44

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
SCHEMBL9156206 0.84 HPGD (0.60) HPGDLMNAARTHRAAURKA
SCHEMBL10192137 0.84 HPGD (0.60) HPGDLMNAARTHRACA1
SCHEMBL981469 0.83 HPGD (0.64) HPGDLMNAARCA1CA2
SCHEMBL5293554 0.82 HPGD (0.59) HPGDLMNAARTHRACA1
SCHEMBL4768229 0.82 HPGD (0.59) HPGDLMNAARTHRACA1
SCHEMBL980565 0.82 CA1 (0.48) HPGDLMNAARTHRACA1
SCHEMBL7985726 0.82 HPGD (0.59) HPGDLMNAARTHRAAURKA
SCHEMBL4650966 0.81 AR (0.66) HPGDLMNAARTHRACA1
SCHEMBL8867340 0.81 HPGD (0.62) HPGDLMNAARTHRACA1
SCHEMBL2748552 0.80 HPGD (0.56) HPGDLMNAARTHRAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed
US-4853381-A Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
US-4853382-A TREATING ASTHMA AND BRONCHITIS GLAXO GROUP LIMITED (GB) 1989-08-01 US disclosed
EP-0178919-B1 AMINOPHENOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1988-12-21 EP disclosed
US-4730008-A STIMULANT FOR BETA-ADRENORECEPTORS GLAXO GROUP LIMITED (GB) 1988-03-08 US disclosed
EP-0223410-A2 Ethanolamine Derivatives GLAXO GROUP LIMITED (GB) 1987-05-27 EP disclosed
EP-0178919-A2 Aminophenol derivatives GLAXO GROUP LIMITED (GB) 1986-04-23 EP disclosed