SCHEMBL7101459

SCHEMBL7101459

CN(c1nc(C(=O)O)c(O)c2ncccc12)S(=O)(=O)c1cn(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
GLO1 Q04760 1/20 0.41
KDM4E B2RXH2 2/20 0.34
KDM6B O15054 1/20 0.34
KDM6A O15550 1/20 0.34
TET3 O43151 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4B O94953 1/20 0.34
KDM5C P41229 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
TET2 Q6N021 1/20 0.34
ALKBH5 Q6P6C2 1/20 0.34
TET1 Q8NFU7 1/20 0.34
FTO Q9C0B1 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM2A Q9Y2K7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM3A Q9Y4C1 1/20 0.34

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
SCHEMBL4064159 0.89 GLO1 (0.41) KMT2AMEN1GLO1KDM4ECOMT
SCHEMBL4059970 0.83 CALCA (0.49) KMT2AMEN1GLO1POLB
SCHEMBL4076247 0.81 KDM4E (0.41) KMT2AMEN1KDM4EKDM6BKDM6A
SCHEMBL4769298 0.79 COMT (0.40) KMT2AKDM4EKDM6BKDM6ATET3
SCHEMBL4059699 0.78 ADORA2A (0.39) GLO1L3MBTL1COMT
SCHEMBL4060218 0.77 CALCA (0.38) GLO1L3MBTL1COMT
SCHEMBL4072643 0.69 KDM4E (0.44) KMT2AKDM4EEGLN1L3MBTL1COMT
SCHEMBL7258791 0.68 KDM4E (0.45) KMT2AMEN1KDM4EKDM6BKDM6A
SCHEMBL7258267 0.68 KDM4E (0.53) KMT2AMEN1GLO1KDM4EKDM6B
SCHEMBL7101457 0.68 TDP1 (0.42) KMT2AMEN1GLO1KDM4EFTO

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-1326865-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS Merck & Co., Inc. (US) 2003-07-16 EP disclosed
WO-2002030930-A2 AZA- AND POLYAZA-NAPHTHALENYL CARBOXAMIDES USEFUL AS HIV INTEGRASE INHIBITORS MERCK & CO., INC. (US) 2002-04-18 WO disclosed