SCHEMBL10428702

SCHEMBL10428702

C/C=C(\C(=O)OC(C)(C)C)c1nc(NC(C)=O)sc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CCNE2 O96020 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CDK4 P11802 1/20 0.38
CCNB1 P14635 1/20 0.38
CCND1 P24385 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
DYRK1A Q13627 5/20 0.36
FSCN1 Q16658 1/20 0.36
MAPT P10636 2/20 0.36
ABL1 P00519 1/20 0.35
NPC1 O15118 2/20 0.35
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 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
SCHEMBL10428936 0.90 LCK (0.44) LCK
SCHEMBL10428938 0.82 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ACCNE2CCNE1
SCHEMBL10428939 0.82 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ACCNE2CCNE1
SCHEMBL10428664 0.82 ALDH1A1 (0.49) SMN1; SMN2MEN1KMT2ACCNE2CCNE1
SCHEMBL8625658 0.79 LCK (0.44) LCK
SCHEMBL10428714 0.75
SCHEMBL10428684 0.74 L3MBTL1 (0.55) SMN1; SMN2MEN1KMT2AMAPTABL1
SCHEMBL13437781 0.72 LCK (0.45) LCK
SCHEMBL23214462 0.71 LCK (0.46) LCK
SCHEMBL13403561 0.70 LCK (0.46) LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4943568-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1990-07-24 US disclosed
EP-0223184-A2 Cephalosporins, process for their preparation and their use as medicaments BAYER AG (DE) 1987-05-27 EP disclosed