SCHEMBL5814697

SCHEMBL5814697

COc1ccc(-c2nc(C3CCNCC3)sc2-c2n[c]ncc2C2CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 5/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ACHE P22303 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 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
SCHEMBL5819500 0.96 HTR2A (0.42) MEN1KMT2AKCNH2HTR2AHTR2C
SCHEMBL5815410 0.87 KCNH2 (0.47) KCNH2ACHE
SCHEMBL5817154 0.84 KMT2A (0.50) KMT2AKCNH2HTR2AHTR2CHTR2B
SCHEMBL5813643 0.83 KCNH2 (0.46) KCNH2ACHE
SCHEMBL5814293 0.83 KCNH2 (0.46) KCNH2ACHE
SCHEMBL3096733 0.83 KMT2A (0.49) MEN1KMT2AKCNH2HTR2AHTR2C
SCHEMBL5814865 0.82 KCNH2 (0.45) KCNH2ACHE
SCHEMBL5818784 0.82 GABRA1 (0.45) MEN1KMT2AKCNH2HTR2CACHE
SCHEMBL5817700 0.81 KMT2A (0.48) KMT2AKCNH2HTR2AHTR2CHTR2B
SCHEMBL5819266 0.80 KCNH2 (0.39) KCNH2ACHE

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 claimed