SCHEMBL9413871

SCHEMBL9413871

CCn1ccn2c(=S)nc(N)c(C)c12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPO P22079 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 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
SCHEMBL9413819 0.85 CDK1 (0.32) CDK1CCNB1CCNE1CDK2
SCHEMBL9413867 0.78 LPO (0.32) LPO
SCHEMBL9413847 0.66 LPO (0.33) LPO
SCHEMBL9021673 0.65 ALOX15 (0.33)
SCHEMBL9413811 0.61 SMN1; SMN2 (0.32)
SCHEMBL9409341 0.61 KDM4E (0.36) CDK1CCNB1CCNE1CDK2
SCHEMBL9413773 0.60
SCHEMBL9413865 0.59 LMNA (0.35)
SCHEMBL9248493 0.58 LPO (0.52) LPO
SCHEMBL9413920 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582261-A1 Cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-02-09 EP disclosed