SCHEMBL10396607

SCHEMBL10396607

OCCc1nc2nc(C(F)(F)F)cc(S)n2n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PDE10A Q9Y233 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
SCHEMBL9822398 0.88 ALDH1A1 (0.34) RECQLALDH1A1HTTKDM4EHPGD
SCHEMBL10396606 0.83 RECQL (0.36) RECQLALDH1A1HTTKDM4EHPGD
SCHEMBL9822160 0.79 ALDH1A1 (0.34) RECQLALDH1A1HTTKDM4EHPGD
SCHEMBL9821985 0.78 RECQL (0.37) RECQLALDH1A1HTTPDE10A
SCHEMBL9822091 0.78 RECQL (0.58) RECQLALDH1A1HTTKDM4EPDE10A
SCHEMBL9822033 0.74 RECQL (0.36) RECQLALDH1A1HTTKDM4EPDE10A
SCHEMBL10407282 0.72 KMT2A (0.47) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
SCHEMBL10618999 0.71 ALPL (0.36) ALDH1A1HTTKDM4EHPGDSMN1; SMN2
SCHEMBL10414520 0.71 SORD (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2KDM5B
SCHEMBL9822393 0.71 ALDH1A1 (0.34) RECQLALDH1A1HTTKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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