SCHEMBL21667390

SCHEMBL21667390

O=c1cc(NCC2=CCCC=C2)[nH]c(=O)n1-c1cc(F)cc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ GLA P06280 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
SCHEMBL21667192 0.75 MEN1 (0.53) POLBMEN1KMT2AMAPTLMNA
SCHEMBL21667221 0.73 CYP3A4 (0.34) —
SCHEMBL21667379 0.69 KMT2A (0.57) POLBMEN1KMT2AMAPTALDH1A1
SCHEMBL16341721 0.62 HTT (0.31) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL21667343 0.62 MEN1 (0.61) POLBMEN1KMT2AMAPTLMNA
SCHEMBL16321199 0.61 SMN1; SMN2 (0.63) MEN1KMT2AMAPTLMNAALDH1A1
SCHEMBL16322326 0.61 FFAR4 (0.32) ALDH1A1SMN1; SMN2TSHRHSD17B10GLA
SCHEMBL21667355 0.58 MEN1 (0.47) POLBMEN1KMT2AMAPTLMNA
SCHEMBL21667345 0.57 ALDH1A1 (0.55) POLBMEN1KMT2AMAPTLMNA
SCHEMBL21667268 0.57 MEN1 (0.60) POLBMEN1KMT2AMAPTLMNA

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-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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