SCHEMBL9822204

SCHEMBL9822204

OCc1cnn2c([S])ccnc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
MAPK9 P45984 1/20 0.32
DYRK1A Q13627 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
HTT P42858 2/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
SORD Q00796 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAP2K1 Q02750 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL11168253 0.72 FYN (0.40) KDM4EMAPTMAPK9DYRK1AIRAK4
SCHEMBL11161158 0.72 SMN1; SMN2 (0.52) KDM4EMAPTMAPK9DYRK1AIRAK4
SCHEMBL11353300 0.71 FYN (0.42) KDM4EMAPTMAPK9DYRK1AIRAK4
SCHEMBL9822430 0.71 PDE2A (0.42) KDM4EMAPTTP53TSHRNPC1
SCHEMBL30579408 0.66 SMPD3 (0.55) KDM4EMAPTLMNAIRAK4HTT
SCHEMBL21893828 0.64 KDM4E (0.38) KDM4EHTTNPC1RAB9ASMN1; SMN2
SCHEMBL14542957 0.61 PDE4A (0.33) KDM4EHTTALDH1A1
SCHEMBL9821978 0.61 SORD (0.42) KDM4ETP53NPC1RAB9ASORD
SCHEMBL9822126 0.59 PDE2A (0.31)
SCHEMBL24938786 0.58 KDM4E (0.36) KDM4EMAPTHTTNPC1RAB9A

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