SCHEMBL9822430

SCHEMBL9822430

Cc1cc([S])n2ncc(CO)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
KDM4E B2RXH2 8/20 0.40
MAPT P10636 8/20 0.37
RAB9A P51151 8/20 0.37
NPC1 O15118 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 6/20 0.36
HPGD P15428 5/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL9822142 0.82 PDE2A (0.31) PDE2A
SCHEMBL9822411 0.81 PDE2A (0.42) PDE2AKDM4EMAPTRAB9ANPC1
SCHEMBL10407271 0.78 KDM4E (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL10407365 0.74 KDM4E (0.71) KDM4EMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL9822204 0.71 KDM4E (0.35) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3898819 0.68 PDE2A (0.33) PDE2AKDM4EMAPTRAB9AALDH1A1
SCHEMBL8555792 0.68 PDE2A (0.48) PDE2AKDM4EMAPTRAB9ANPC1
SCHEMBL15159109 0.67 PDE2A (0.39) PDE2AKDM4EALDH1A1
SCHEMBL17740025 0.67 KDM4E (0.53) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL6692767 0.67 PDE2A (0.34) PDE2A

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