SCHEMBL12890891

SCHEMBL12890891

Cc1ncc2cnc(CC(C)C)nc2n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL12912297 0.76 TLR7 (0.35)
SCHEMBL28339558 0.74 SMN1; SMN2 (0.40)
SCHEMBL26417083 0.72 NOS3 (0.33) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL12890885 0.72 APLNR (0.33)
SCHEMBL19413636 0.72 KDM4E (0.37) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL2629371 0.69 APLNR (0.41) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL19743756 0.68 MBOAT4 (0.32) NOS3NOS1NOS2KDM4EUSP2
SCHEMBL30020945 0.68 ALDH1A1 (0.49) KDM4E
SCHEMBL13167669 0.67 LMNA (0.43) LMNANOS3NOS1NOS2KDM4E
SCHEMBL27681615 0.67 KDM4E (0.41) LMNAKDM4E

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-7893020-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
US-7879795-B2 can be coadministered with antimicrobial agents for treatment of infections caused by drug resistant bacteria; 2-Amino-N-{4-Amino-1-[-3-phenyl-1-(R)-(quinolin-3-ylcarbomoyl)-propylcarbamoyl]-butyl}succinamic acid; 2,5-Diamino-pentanoic acid [3-phenyl-1-(R)-(4-phenyl-thiazol-2-ylcarbamoyl)-propyl]-amide MPEX PHARMACEUTICALS, INC. (US) 2011-02-01 US disclosed