SCHEMBL21667203

SCHEMBL21667203

O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1CC(F)(F)F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.61
▸ LMNA P02545 4/20 0.59
▸ L3MBTL1 Q9Y468 3/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.42
▸ CLPP Q16740 1/20 0.42
▸ ESR1 P03372 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTT P42858 3/20 0.41

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
SCHEMBL21667372 0.85 ALDH1A1 (0.66) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL21667214 0.80 SMN1; SMN2 (0.47) LMNAL3MBTL1ALDH1A1MAPTSMN1; SMN2
SCHEMBL16321238 0.78 SMN1; SMN2 (0.41) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL16321236 0.78 SMN1; SMN2 (0.41) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL21667369 0.78 ALDH1A1 (0.64) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL14612437 0.67 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2TP53TSHR
SCHEMBL21667218 0.66 KMT2A (0.42) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL21667281 0.66 EGFR (0.53) MAPTMEN1KMT2AHDAC3HDAC1
SCHEMBL21723553 0.65 POLB (0.50) POLBLMNAL3MBTL1ALDH1A1MAPT
SCHEMBL16322281 0.64 KMT2A (0.57) LMNAALDH1A1SMN1; SMN2MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3702352-A1 PYRIMIDINEDIONE COMPOUND AGAINST CARDIAC CONDITIONS Myokardia, Inc. (US) 2020-09-02 — — EP disclosed
EP-3010910-B1 PYRIMIDINEDIONE COMPOUNDS AGAINST CARDIAC CONDITIONS MYOKARDIA INC (US) 2020-02-05 — — EP disclosed
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