SCHEMBL2423069

SCHEMBL2423069

CCOC(=O)Nc1nnc(-c2ccccc2)s1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.74
RAB9A P51151 4/20 0.74
HSD17B10 Q99714 6/20 0.71
SMN1; SMN2 Q16637 6/20 0.71
HPGD P15428 5/20 0.71
ALDH1A1 P00352 5/20 0.71
USP2 O75604 2/20 0.71
CYP1A2 P05177 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
CSNK2A2 P19784 6/20 0.63
CSNK2A1 P68400 6/20 0.63
GLS O94925 1/20 0.60
NPC1 O15118 2/20 0.57
LMNA P02545 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
ADORA2B P29275 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
RECQL P46063 1/20 0.56

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
SCHEMBL8143035 0.86 SMN1; SMN2 (0.71) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL255828 0.85 ALDH1A1 (0.64) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL2421423 0.85 KDM4E (0.75) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL20887242 0.82 KDM4E (0.79) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL8125604 0.82 CSNK2A2 (0.56) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL8151030 0.82 NPC1 (0.53) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL3828303 0.81 NPC1 (0.71) KDM4ERAB9ASMN1; SMN2ALDH1A1USP2
SCHEMBL14962997 0.81 KDM4E (0.76) KDM4ERAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL15515850 0.81 KDM4E (0.60) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD
SCHEMBL8124696 0.80 NPC1 (0.57) KDM4ERAB9AHSD17B10SMN1; SMN2HPGD

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
US-8202859-B2 Heterocyclic sulfonamides CYTOKINETICS, INC. (US) 2012-06-19 US disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP disclosed