SCHEMBL9862880

SCHEMBL9862880

Nc1cc(C2=NCCO2)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 4/20 0.44
HSD17B10 Q99714 4/20 0.44
ALOX12 P18054 3/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KCNH2 Q12809 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
LTA4H P09960 1/20 0.35
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9668261 0.80 ESR1 (0.41) HSD17B10KDM4ELMNACYP3A4
SCHEMBL9668282 0.80 HSD17B1 (0.41) MEN1KMT2ACYP3A4
SCHEMBL9863041 0.80 ESR1 (0.39) ALOX15KCNH2HRH3LTA4HALOX5
SCHEMBL9666810 0.80 ESR2 (0.44) HSD17B10
SCHEMBL9863124 0.78 APP (0.37) KCNH2HRH3LTA4HALOX5
SCHEMBL9666112 0.76 POLB (0.47) ALDH1A1ALOX15HSD17B10ALOX12GAA
SCHEMBL9863426 0.76 HSD17B1 (0.45) HSP90AA1
SCHEMBL9862881 0.76 ERN1 (0.52)
SCHEMBL9863172 0.76 HSP90AA1 (0.39) HSP90AA1
SCHEMBL9863435 0.76 ALDH1A1 (0.43) ALDH1A1ALOX15HSD17B10MAPTHTT

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