SCHEMBL9870038

SCHEMBL9870038

CCOC(=O)Cc1cc(S)n2ncnc2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MAPT P10636 3/20 0.46
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.38
POLB P06746 3/20 0.38
RECQL P46063 2/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
HPGD P15428 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 2/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 2/20 0.37
THRB P10828 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9677422 0.86 L3MBTL1 (0.51) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL9680351 0.85 L3MBTL1 (0.50) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL9678457 0.81 HSD17B10 (0.42) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL9677293 0.79 ALDH1A1 (0.49) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL22667511 0.76 KDM4E (0.53) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL8944245 0.76 ALDH1A1 (0.44) L3MBTL1MAPTKDM4EALDH1A1MEN1
SCHEMBL10567999 0.74 KDM4E (0.48) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL9822425 0.74 ALDH1A1 (0.40) MAPTKDM4EALDH1A1MEN1KMT2A
SCHEMBL8944072 0.72 HTT (0.40) L3MBTL1KDM4EALDH1A1LMNAHTT
SCHEMBL18358421 0.72 KDM4E (0.49) L3MBTL1MAPTKDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064953-A INTERMEDIATES CEPHALOSPORIN DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-11-12 US disclosed
US-4888332-A ANTIBIOTICS MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1989-12-19 US disclosed