SCHEMBL9822008

SCHEMBL9822008

COCc1nc2ncc(C(N)=O)c([S])n2n1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.36
KDM4E B2RXH2 5/20 0.36
MAPT P10636 1/20 0.36
NNMT P40261 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.32
JAK3 P52333 3/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CSNK1D P48730 1/20 0.31
JAK2 O60674 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
MAP4K1 Q92918 1/20 0.30
KCNH2 Q12809 1/20 0.30
ATM Q13315 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
SCHEMBL9822024 0.88 KDM4E (0.40) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822014 0.86 ALDH1A1 (0.40) ALDH1A1POLBKDM4EMAPTNNMT
SCHEMBL9822338 0.84 ALDH1A1 (0.36) ALDH1A1POLBKDM4EMAPTKMT2A
SCHEMBL9822031 0.76 KDM4E (0.41) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822481 0.73 KDM4E (0.35) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822158 0.69 PKM (0.35) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822341 0.69 ALDH1A1 (0.37) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822487 0.68 KDM4E (0.35) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL10408156 0.66 POLB (0.58) ALDH1A1POLBKDM4EMAPTLMNA
SCHEMBL9822120 0.66 PKM (0.38) ALDH1A1

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-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