SCHEMBL23114168

SCHEMBL23114168

CC(NC(=O)O)c1ccc(Br)c(F)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.39
▸ LMNA P02545 2/20 0.35
▸ POLB P06746 2/20 0.34
▸ PPARG P37231 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPC1 O15118 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
SCHEMBL23113991 0.84 HTT (0.38) HTTLMNAPOLBMEN1KMT2A
SCHEMBL23113901 0.84 HTT (0.41) HTTLMNAPOLBPPARGMEN1
SCHEMBL23114100 0.81 HTT (0.41) HTTLMNAPOLBMEN1KMT2A
SCHEMBL30541841 0.81 AAK1 (0.39) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL26050870 0.81 AAK1 (0.39) LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL17782059 0.75 HTT (0.44) HTTLMNAPOLBPPARGMEN1
SCHEMBL1343874 0.75 GPR139 (0.48) HTTLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL1343907 0.75 MEN1 (0.46) HTTLMNAPOLBMEN1KMT2A
SCHEMBL12533352 0.75 P2RX7 (0.31) —
SCHEMBL23114131 0.73 KLKB1 (0.34) —

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
EP-3793994-A1 INHIBITING AGENTS FOR BRUTON'S TYROSINE KINASE Biogen MA Inc. (US) 2021-03-24 — — EP disclosed
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