SCHEMBL21638325

SCHEMBL21638325

CC(=O)Cn1c(=O)[nH]c(NC(C)c2ccccc2)c(Br)c1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.40
▸ ALOX5 P09917 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2B6 P20813 1/20 0.39
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC1 Q13547 4/20 0.35
▸ HDAC3 O15379 3/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC6 Q9UBN7 3/20 0.35
▸ GPR139 Q6DWJ6 2/20 0.35

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
SCHEMBL16320765 0.78 CYP3A4 (0.56) SMN1; SMN2HTTALOX5CYP3A4CYP2B6
SCHEMBL16320766 0.78 CYP3A4 (0.56) SMN1; SMN2HTTALOX5CYP3A4CYP2B6
SCHEMBL16321797 0.68 SMN1; SMN2 (0.64) SMN1; SMN2HTTCYP3A4CYP2B6MEN1
SCHEMBL16321796 0.68 SMN1; SMN2 (0.64) SMN1; SMN2HTTCYP3A4CYP2B6MEN1
SCHEMBL16321911 0.66 CYP3A4 (0.58) SMN1; SMN2HTTALOX5CYP3A4CYP2B6
SCHEMBL16321912 0.66 CYP3A4 (0.58) SMN1; SMN2HTTALOX5CYP3A4CYP2B6
SCHEMBL31359061 0.66 GPR139 (0.56) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL31359009 0.66 GPR139 (0.56) SMN1; SMN2HTTMEN1KMT2ANPC1
SCHEMBL16321187 0.65 CYP3A4 (0.56) SMN1; SMN2HTTALOX5CYP3A4CYP2B6
SCHEMBL16321188 0.65 CYP3A4 (0.56) SMN1; SMN2HTTALOX5CYP3A4CYP2B6

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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