SCHEMBL9822255

SCHEMBL9822255

COCc1nc2nc3c(c(S)n2n1)CCC3

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM1A O60341 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 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
SCHEMBL9822104 0.97 PKM (0.36) LMNAPKM
SCHEMBL9822181 0.84 LMNA (0.35) LMNAPKMMAPTNPSR1KDM1A
SCHEMBL9822097 0.82 PKM (0.35) LMNAPKM
SCHEMBL9821971 0.81 KDM1A (0.33) LMNAPKMNPSR1KDM1AMEN1
SCHEMBL9822165 0.78 KDM4E (0.32) LMNAPKMNPSR1KDM1AALDH1A1
SCHEMBL9822175 0.78 PKM (0.36) LMNAPKMKDM1AALDH1A1RECQL
SCHEMBL9822221 0.75 PKM (0.34) LMNAPKMRECQLMEN1KMT2A
SCHEMBL10408138 0.73 PKM (0.46) LMNAPKMALDH1A1HTTRECQL
SCHEMBL9822215 0.72 LMNA (0.37) LMNAPKMMAPTNPSR1KDM1A
SCHEMBL9822083 0.71 PKM (0.39) PKMALDH1A1HTTRECQL

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