SCHEMBL11249398

SCHEMBL11249398

Cc1c(NC(=N)NC(=O)NC(C)(C)C)cc(Cl)c(Br)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 2/20 0.39
▸ POLB P06746 2/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ APEX1 P27695 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ ANO1 Q5XXA6 1/20 0.31
▸ LMNA P02545 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
SCHEMBL11262102 0.88 MAPK1 (0.43) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11261135 0.83 CYP1A2 (0.34) POLBCA1CA2
SCHEMBL11254460 0.82 HTT (0.44) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11050943 0.81 HTT (0.44) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11260929 0.80 KMT2A (0.50) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11052110 0.78 MEN1 (0.55) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11053819 0.78 KMT2A (0.46) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11048661 0.78 MAPK1 (0.52) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11056651 0.77 HTT (0.51) MAPK1MEN1KMT2AHTTPOLB
SCHEMBL11056791 0.77 MAPK1 (0.47) MAPK1MEN1KMT2AHTTPOLB

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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