SCHEMBL9627261

SCHEMBL9627261

CCOC(=O)CCSc1scnc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 4/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
GAA P10253 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 1/20 0.37
BRCA1 P38398 1/20 0.37
TSHR P16473 1/20 0.36
LMNA P02545 3/20 0.35
IDO1 P14902 1/20 0.35

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
SCHEMBL9852499 0.86 KMT2A (0.40) KDM4EALDH1A1TDP1KMT2ARAB9A
SCHEMBL10685904 0.81 APEX1 (0.43) KDM4EPOLBALDH1A1TDP1MAPT
SCHEMBL9748006 0.78 KDM4E (0.42) KDM4EALDH1A1TDP1HPGDL3MBTL1
Hydrochloric Acid SCHEMBL16593684 0.76 KDM4E (0.41) KDM4EALDH1A1TDP1HPGDL3MBTL1
SCHEMBL10692166 0.76 ALDH1A1 (0.44) KDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL16345888 0.73 KDM4E (0.39) KDM4EALDH1A1MAPTKMT2AHPGD
SCHEMBL10688331 0.71 CYP1A2 (0.43) KDM4EALDH1A1KMT2AL3MBTL1GAA
SCHEMBL970781 0.70 KDM4E (0.46) KDM4EPOLBALDH1A1TDP1MAPT
SCHEMBL10685641 0.70 PTGS1 (0.39) KDM4EALDH1A1KMT2AHPGDRAB9A
SCHEMBL27766706 0.69 KDM4E (0.50) KDM4EALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091382-A CEPHALOSPORIN DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed