SCHEMBL11245321

SCHEMBL11245321

Cc1c(Cl)c(Cl)c(Cl)c(C)c1NC(=N)NC(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HTT P42858 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ POLB P06746 2/20 0.33
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 2/20 0.30
▸ APEX1 P27695 1/20 0.30
▸ TSHR P16473 1/20 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
SCHEMBL11260411 0.85 HTT (0.43) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11252255 0.83 HTT (0.40) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11262102 0.80 MAPK1 (0.43) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11050902 0.79 MAPK1 (0.49) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11048657 0.79 HTT (0.47) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11053938 0.79 HTT (0.47) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11255736 0.79 HTT (0.41) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11053827 0.77 MAPK1 (0.54) MEN1KMT2AMAPK1HTTPOLB
SCHEMBL11049975 0.77 HTT (0.48) MEN1KMT2AMAPK1HTTNPC1
SCHEMBL11256689 0.77 CRBN (0.31) POLB

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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 — — US disclosed
Send feedback