SCHEMBL7213630

SCHEMBL7213630

c1ccc(-c2nsnc2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.44
ALPL P05186 1/20 0.44
IDO1 P14902 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
MAPT P10636 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 4/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL715965 0.86 ALOX15 (0.38) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL4975817 0.83 TDP1 (0.41) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL2877031 0.83 ALOX15 (0.39) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL544849 0.83 CSNK1A1 (0.45) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL544426 0.83 KDM4E (0.47) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL9451310 0.83 MEN1 (0.41) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL18727625 0.79 LMNA (0.56) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL715964 0.79 ALOX15 (0.33) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL20033942 0.78 KDM4E (0.41) ALOX15KDM4EALDH1A1HPGDGAA
SCHEMBL10338995 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDGAAMAPT

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
CN-110461327-A Diagnoses and treatment reagent UNIV HONG KONG SCIENCE & TECH 2019-11-15 CN disclosed
US-6620940-B1 Heterocyclic nitrogen/sulfur compounds used as chemical intermediates for drugs such as 3-chloro-4-(furan-2-yl)-1,2,5 -thiadiazole ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-0948592-A2 THIADIAZOLE DIOXIDE DERIVED OXAZIRIDINES AS BLEACHING COMPOUNDS UNILEVER N.V. (NL) 1999-10-13 EP disclosed
WO-1998024877-A2 THIADIAZOLE DIOXIDE DERIVED OXAZIRIDINES AS BLEACHING COMPOUNDS UNILEVER N.V. (NL) 1998-06-11 WO disclosed