SCHEMBL11212263

SCHEMBL11212263

CCCCn1c(SC)nnc(O)c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
USP2 O75604 1/20 0.36
RGS4 P49798 1/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 2/20 0.33
RECQL P46063 2/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL11212262 0.86 TDP1 (0.36) SMN1; SMN2TDP1L3MBTL1USP2RGS4
SCHEMBL11312854 0.83 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4ELMNATP53
SCHEMBL11216028 0.75 SMN1; SMN2 (0.38) SMN1; SMN2USP2ALDH1A1KDM4ELMNA
SCHEMBL11376315 0.74 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1USP2ALDH1A1LMNA
SCHEMBL9003814 0.71 TOP2A (0.40) SMN1; SMN2TDP1L3MBTL1RGS4ALDH1A1
SCHEMBL11691595 0.69 SMN1; SMN2 (0.42) SMN1; SMN2L3MBTL1USP2ALDH1A1LMNA
SCHEMBL11312852 0.68 SMN1; SMN2 (0.36) SMN1; SMN2L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL18029436 0.66 TDP1 (0.63) SMN1; SMN2TDP1L3MBTL1ALDH1A1KDM4E
SCHEMBL10361075 0.64 ALDH1A1 (0.31) ALDH1A1
SCHEMBL11362453 0.62 SRC (0.34) L3MBTL1KDM4EMAPK1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
EP-0002605-B1 CEPHALOSPORIN COMPOUNDS AND FORMULATIONS CONTAINING THEM FOR USE IN THE TREATMENT OF BACTERIAL INFECTIONS AND THE PREPARATION OF THE CEPHALOSPORIN COMPOUNDS ELI LILLY AND COMPANY (US) 1981-12-30 EP disclosed
US-4200745-A 7[2-(2-Aminothiazol-4-yl)-2-alkoxyimino]acetamido 3[4-alkyl-5-oxo-6-hydroxy-3,4 dihydro 1,2,4-triazin 3-yl]thio methyl cephalosporins ELI LILLY AND COMPANY (US) 1980-04-29 US disclosed
EP-0002605-A1 Cephalosporin compounds and formulations containing them for use in the treatment of bacterial infections and the preparation of the cephalosporin compounds ELI LILLY AND COMPANY (US) 1979-06-27 EP disclosed
US-4061861-A ANTIBIOTIC ELI LILLY AND COMPANY (US) 1977-12-06 US disclosed
US-4048161-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-09-13 US disclosed