SCHEMBL9409341

SCHEMBL9409341

CCn1ccc(N)nc1=S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PI4KA P42356 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
MPO P05164 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
HTT P42858 1/20 0.31
NOS3 P29474 2/20 0.30
NOS2 P35228 2/20 0.30

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
SCHEMBL1892698 0.76 FGFR1 (0.44) MAPTPI4KAPI4KBPIK3CDPIK3CA
SCHEMBL9409258 0.74 KMT2A (0.45) KDM4EMEN1MAPTKMT2AGABRP
SCHEMBL26658350 0.71 CDK1 (0.35) KDM4EMEN1MAPTKMT2API4KA
SCHEMBL20324405 0.68
SCHEMBL21418606 0.68 CDK1 (0.33) PI4KAPI4KBCDK1CCNB1CCNE1
SCHEMBL2967556 0.65 FGFR1 (0.43) MAPTFGFR1
SCHEMBL21418802 0.65 CDK1 (0.34) PI4KAPI4KBCDK1CCNB1CCNE1
SCHEMBL20731185 0.64 PIK3CB (0.35) KDM4EMEN1MAPTKMT2API4KA
SCHEMBL27281906 0.64 PIK3CD (0.39) KDM4EPI4KAPI4KBPIK3CDPIK3CA
SCHEMBL7112477 0.64 NOS2 (0.34) KDM4EMAPTCYP1A2CYP2D6HTT

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-0584797-A2 Novel cephalosporin compounds and processes for the preparation thereof LUCKY LTD. (KR) 1994-03-02 EP disclosed