SCHEMBL9822243

SCHEMBL9822243

Cc1nc2nc(CO)cc(S)n2n1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.33
LMNA P02545 3/20 0.33
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.32
RECQL P46063 1/20 0.32
AHR P35869 1/20 0.31
MAPK1 P28482 3/20 0.31
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL9821989 0.83 RECQL (0.35) ALDH1A1KDM4ERECQLHTT
SCHEMBL9822135 0.82 TP53 (0.37) TP53LMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9822152 0.80 TDP1 (0.46) TP53LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9822237 0.79 TP53 (0.33) TP53LMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9140788 0.76 DPP4 (0.40) ALDH1A1L3MBTL1SMN1; SMN2KDM4ENPSR1
SCHEMBL6261617 0.76 ALDH1A1 (0.45) TP53LMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9822180 0.75 KDM4E (0.37) TP53ALDH1A1L3MBTL1SMN1; SMN2KDM4E
SCHEMBL9143006 0.74 ALDH1A1 (0.34) TP53LMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL9821943 0.72 PDE10A (0.35) TP53LMNAALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL10579322 0.72 ALDH1A1 (0.40) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1

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-4987129-A BACTERICIDES SANKEI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
US-4958019-A Intermediates for synthesis of cephalosporin compounds SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-18 US disclosed
US-4956462-A Bactericides, ANTIBIOTICS, CEPHALOSPORINS SANKEI PHARMACEUTICAL CO., LTD. (JP) 1990-09-11 US disclosed
EP-0302633-A2 Beta-lactam compound, process for preparing the same, intermediate for synthesis of the same and medicinal composition for bacterially infectious disease therapy containing the same SANKEI PHARMACEUTICAL COMPANY LIMITED (JP) 1989-02-08 EP disclosed