SCHEMBL9822150

SCHEMBL9822150

COCc1nc2nc(C(F)(F)F)cc([S])n2n1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 6/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
RECQL P46063 1/20 0.33
MAPT P10636 2/20 0.32
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
PTGS2 P35354 1/20 0.31
CREBBP Q92793 1/20 0.31
ALPL P05186 2/20 0.30
ALPI P09923 2/20 0.30
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
PDE3A Q14432 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
SCHEMBL9822160 0.83 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2PDE4B
SCHEMBL9822393 0.81 ALDH1A1 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL9822209 0.80 RECQL (0.50) KDM4EALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL10396606 0.79 RECQL (0.36) KDM4EALDH1A1HPGDSMN1; SMN2RECQL
SCHEMBL9822039 0.79 RECQL (0.33) ALDH1A1RECQLHTT
SCHEMBL9822230 0.74 HCAR2 (0.39) KDM4EALDH1A1HPGDRECQLHTT
SCHEMBL10414519 0.73 SORD (0.38) KDM4EALDH1A1HPGDSMN1; SMN2PDE4B
SCHEMBL9822481 0.73 KDM4E (0.35) KDM4EALDH1A1HPGDL3MBTL1RECQL
SCHEMBL9822158 0.72 PKM (0.35) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1
SCHEMBL10407281 0.69 KMT2A (0.47) KDM4EALDH1A1HPGDSMN1; SMN2L3MBTL1

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