SCHEMBL9863111

SCHEMBL9863111

Clc1cc(C2=NCCO2)ccc1OCC=CCBr

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.34
KMT2A Q03164 1/20 0.33
SCARB1 Q8WTV0 1/20 0.31
LSS P48449 1/20 0.31

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
SCHEMBL9863109 1.00 KCNH2 (0.35) KCNH2HRH3LTA4HKMT2ASCARB1
SCHEMBL9862823 0.80 KCNH2 (0.50) KCNH2HRH3LTA4HLSS
SCHEMBL9862825 0.80 KCNH2 (0.50) KCNH2HRH3LTA4HLSS
SCHEMBL9862968 0.80 KCNH2 (0.40) KCNH2HRH3LTA4HKMT2ASCARB1
SCHEMBL9862967 0.78 NPC1 (0.35) KMT2ASCARB1
SCHEMBL9862966 0.78 NPC1 (0.35) KMT2ASCARB1
SCHEMBL22000613 0.75 KMT2A (0.47) KMT2A
SCHEMBL29367971 0.71 AHR (0.46) KCNH2HRH3KMT2ALSS
SCHEMBL9863112 0.71 S1PR1 (0.33) KCNH2HRH3KMT2ALSS
SCHEMBL9220079 0.70 HPGD (0.40) KCNH2HRH3LTA4H

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 3 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-4843087-A OXAZOLINYL COMPOUNDS; RHINOVIRUSES AND PICORNAVIRUSES STERLING DRUG INC. (US) 1989-06-27 US disclosed