SCHEMBL5817697

SCHEMBL5817697

Fc1ccccc1-c1nc(C2CCNCC2)sc1-c1n[c]ncc1C1CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 4/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A3 Q01959 2/20 0.34
PLAT P00750 2/20 0.32
MAPT P10636 1/20 0.32
KCNH2 Q12809 4/20 0.32
HPGDS O60760 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
SCHEMBL5814865 0.85 KCNH2 (0.45) KCNH2
SCHEMBL5813643 0.83 KCNH2 (0.46) KCNH2
SCHEMBL5819600 0.83 HTR1A (0.36) HTR1AKCNH2
SCHEMBL5814293 0.82 KCNH2 (0.46) KCNH2
SCHEMBL18952772 0.80 MAPT (0.40) MAPT
SCHEMBL5822655 0.80 HRH3 (0.39) MEN1KMT2AMAPTKCNH2
SCHEMBL5812990 0.79 MEN1 (0.41) MEN1KMT2APLAT
SCHEMBL5815410 0.79 KCNH2 (0.47) KCNH2
SCHEMBL5819814 0.79 GABRA1 (0.44) MEN1KMT2AKCNH2
SCHEMBL5818833 0.78 MEN1 (0.41) MEN1KMT2APLAT

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-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed