SCHEMBL8047952

SCHEMBL8047952

CCCCOC(=O)/N=C(/NC(=O)c1ccccc1)SC

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
POLB P06746 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NAAA Q02083 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL8047957 1.00 KDM4E (0.48) KDM4EPOLBMEN1KMT2ANAAA
SCHEMBL11688085 0.87 SMN1; SMN2 (0.50) KDM4EMEN1KMT2ATSHRL3MBTL1
SCHEMBL8047962 0.80 RAB9A (0.44) KDM4EPOLBTDP1TSHRL3MBTL1
SCHEMBL8575690 0.78 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8058305 0.78 ALDH1A1 (0.47) KDM4ETDP1TSHRL3MBTL1ALDH1A1
SCHEMBL8575692 0.78 ALDH1A1 (0.43) KDM4EL3MBTL1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL8058307 0.78 ALDH1A1 (0.47) KDM4ETDP1TSHRL3MBTL1ALDH1A1
SCHEMBL21049314 0.76 EPHX1 (0.42) KDM4EPOLBMEN1KMT2ATDP1
SCHEMBL21049313 0.76 EPHX1 (0.42) KDM4EPOLBMEN1KMT2ATDP1
SCHEMBL8063735 0.76 L3MBTL1 (0.46) POLBTDP1TSHRL3MBTL1ALDH1A1

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-6162925-A Antibiotic for methicillin resistant bacteria RESEARCH CORPORATION TECH., INC. (US) 2000-12-19 US disclosed
US-6110925-A EFFECTIVE AGAINST STAPHYLOCOCCUS; ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 2000-08-29 US disclosed
EP-1003727-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES (US) 2000-05-31 EP disclosed
WO-1999007685-A1 ANTIBIOTIC FOR METHICILLIN RESISTANT BACTERIA RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1999-02-18 WO disclosed