SCHEMBL11260411

SCHEMBL11260411

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 2/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ SRC P12931 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL11053938 0.85 HTT (0.47) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11245321 0.85 MEN1 (0.41) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11255736 0.85 HTT (0.41) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11049751 0.84 HTT (0.43) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11049975 0.84 HTT (0.48) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11252255 0.83 HTT (0.40) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11055321 0.82 HTT (0.47) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11048657 0.82 HTT (0.47) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11254460 0.82 HTT (0.44) HTTMAPK1MEN1KMT2APOLB
SCHEMBL11052453 0.82 HTT (0.57) HTTMAPK1MEN1KMT2APOLB

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
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