SCHEMBL627054

SCHEMBL627054

COC(=O)C1CCN(c2nn3c(I)cnc3s2)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TMPRSS15 P98073 3/20 0.45
LMNA P02545 5/20 0.44
THRB P10828 2/20 0.44
TP53 P04637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL627222 0.83 LMNA (0.39) LMNATHRBTP53RXFP1
SCHEMBL627999 0.81 LMNA (0.41) LMNATHRBTP53MAPTL3MBTL1
SCHEMBL23268299 0.78 LMNA (0.39) LMNATHRBTP53RXFP1POLB
SCHEMBL625663 0.78 FYN (0.56) KDM4ELMNATHRBMAPT
SCHEMBL627055 0.76 MAPT (0.48) KDM4ELMNATHRBMEN1KMT2A
SCHEMBL626886 0.76 CKS1B (0.50) LMNATP53
SCHEMBL23288616 0.75 KCNH2 (0.45) LMNATHRBTP53MAPTL3MBTL1
SCHEMBL625746 0.74 PIK3CA (0.54) TMPRSS15
SCHEMBL627264 0.73 CKS1B (0.43) LMNATHRBMEN1KMT2ASMN1; SMN2
SCHEMBL25407503 0.73 TMPRSS15 (0.61) KDM4ETMPRSS15

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
WO-2012020215-A1 AMINO- IMIDAZOLOTHIADIAZOLES FOR USE AS PROTEIN OR LIPID KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-02-16 WO disclosed