SCHEMBL9863041

SCHEMBL9863041

Oc1ccc(C2=NCCO2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ALOX15 P16050 1/20 0.38
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.35
ALOX5 P09917 1/20 0.34
LSS P48449 1/20 0.33

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
SCHEMBL9862880 0.80 ALDH1A1 (0.44) ALOX15KCNH2HRH3LTA4HALOX5
SCHEMBL9668282 0.80 HSD17B1 (0.41) ESR1ESR2
SCHEMBL9668261 0.80 ESR1 (0.41) ESR1ESR2
SCHEMBL9666810 0.80 ESR2 (0.44) ESR1ESR2LSS
Hydrochloric Acid SCHEMBL9705801 0.79 CRHBP (0.37) ALOX15KCNH2HRH3LTA4H
SCHEMBL9863124 0.78 APP (0.37) KCNH2HRH3LTA4HALOX5LSS
SCHEMBL7832996 0.77 SCARB1 (0.37) KCNH2HRH3LTA4H
SCHEMBL9666112 0.76 POLB (0.47) ALOX15ALOX5
SCHEMBL10713544 0.76 MAPT (0.43)
SCHEMBL9863172 0.76 HSP90AA1 (0.39) ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed
US-4861791-A Dihydro-oxazolyl substituted-phenyl-aliphatic lower alkyl and their use as antiviral agents STERLING DRUG INC. (US) 1989-08-29 US disclosed
US-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed