SCHEMBL5221832

SCHEMBL5221832

Cn1nnnc1-c1ccc(OBOc2ccc(-c3nnnn3C)nc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
KMO O15229 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TTK P33981 1/20 0.31
LMNA P02545 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
SCHEMBL14949186 0.77 CCR1 (0.54) PDE10AKMOSMN1; SMN2ALDH1A1KMT2A
SCHEMBL30094777 0.74 KMO (0.41) PDE10AKMOSMN1; SMN2ALDH1A1
SCHEMBL1557065 0.74 KMO (0.41) PDE10AKMOSMN1; SMN2ALDH1A1
SCHEMBL1656606 0.74 KMO (0.41) PDE10AKMOSMN1; SMN2ALDH1A1TTK
SCHEMBL14946750 0.72 KMO (0.40) PDE10AKMOSMN1; SMN2TTK
SCHEMBL29454964 0.72 KDM4E (0.44) KMOSMN1; SMN2ALDH1A1TDP1
SCHEMBL2897149 0.71 KMO (0.39) PDE10AKMOSMN1; SMN2
SCHEMBL5222321 0.68 AOC3 (0.36) SMN1; SMN2ALDH1A1KMT2ALMNA
SCHEMBL6651069 0.68 KMO (0.39) PDE10AKMOSMN1; SMN2LMNA
SCHEMBL3596359 0.67 NPC1 (0.56) KMOSMN1; SMN2HSD17B10ALDH1A1TDP1

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-1799677-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS Ranbaxy Laboratories Limited (IN) 2007-06-27 EP disclosed
WO-2006038100-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2006-04-13 WO disclosed