SCHEMBL9822221

SCHEMBL9822221

OCCc1nc2nc3c(c(S)n2n1)CCCC3

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.34
RECQL P46063 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
LMNA P02545 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ACHE P22303 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
SCHEMBL9822165 0.97 KDM4E (0.32) PKMRECQLPOLBLMNAKDM4E
SCHEMBL9822175 0.88 PKM (0.36) PKMRECQLPOLBCYP1A2LMNA
SCHEMBL9821971 0.85 KDM1A (0.33) PKMLMNAKDM4EMEN1KMT2A
SCHEMBL10397427 0.81 LMNA (0.33) PKMRECQLPOLBLMNAKDM4E
SCHEMBL9822104 0.78 PKM (0.36) PKMPOLBGAALMNA
SCHEMBL9822255 0.75 LMNA (0.33) PKMRECQLLMNAMEN1KMT2A
SCHEMBL10408138 0.74 PKM (0.46) PKMRECQLPOLBGAACYP1A2
SCHEMBL10407382 0.72 POLB (0.40) PKMRECQLPOLBGAACYP1A2
SCHEMBL9822171 0.72 PKM (0.35) PKMRECQLPOLBCYP1A2LMNA
SCHEMBL9822021 0.71 PKM (0.37) PKMPOLBGAACYP1A2LMNA

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