SCHEMBL9409258

SCHEMBL9409258

Nc1ccn(CC(=O)O)c(=S)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.34
PTGS2 P35354 1/20 0.34
TSHR P16473 1/20 0.34
EP300 Q09472 4/20 0.34
GRIN2B Q13224 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33

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
SCHEMBL1672081 0.81 KMT2A (0.46) KMT2AALDH1A1MAPTLMNAKDM4E
SCHEMBL9409341 0.74 KDM4E (0.36) KMT2AMAPTMEN1KDM4EGABRP
SCHEMBL9413835 0.73 KMT2A (0.33) KMT2AALDH1A1KDM4ETDP1
SCHEMBL9413883 0.69 CSNK2A2 (0.33) ALDH1A1KDM4ETDP1PTGS2
SCHEMBL1795674 0.67 KDM4C (0.46) KMT2AALDH1A1MEN1LMNATDP1
SCHEMBL10815571 0.67 KMT2A (0.51) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL23885288 0.66 HDAC6 (0.43) KMT2A
SCHEMBL5296992 0.66 FGFR1 (0.50) KMT2AMEN1KDM4EFGFR1
SCHEMBL7270586 0.66 FGFR1 (0.50) KMT2AMEN1KDM4EFGFR1
SCHEMBL14555750 0.66 KMT2A (0.45) KMT2AALDH1A1KDM4EPTGS2GRIN2B

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
EP-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed