SCHEMBL10735537

SCHEMBL10735537

COCOc1ccc(N2CC(N)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TP53 P04637 2/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.39
GRM2 Q14416 2/20 0.38
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
USP2 O75604 1/20 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
SCHEMBL10735543 1.00 ALDH1A1 (0.45) ALDH1A1MAPTTP53HPGDHTT
SCHEMBL28950551 0.83 POLB (0.51) ALDH1A1MAPTGAALMNAGRM2
SCHEMBL28950554 0.83 POLB (0.51) ALDH1A1MAPTGAALMNAGRM2
SCHEMBL10920872 0.77 LMNA (0.45) ALDH1A1MAPTTP53HPGDHTT
SCHEMBL10742539 0.75 RAB9A (0.42) ALDH1A1MAPTTP53HPGDGAA
SCHEMBL10742552 0.75 RAB9A (0.42) ALDH1A1MAPTTP53HPGDGAA
SCHEMBL30777491 0.74 TP53 (0.47) TP53HTTGAAGRM2TSHR
SCHEMBL28831007 0.71 RXFP1 (0.41) MAPTLMNATSHRMEN1KMT2A
SCHEMBL28831010 0.71 RXFP1 (0.41) MAPTLMNATSHRMEN1KMT2A
SCHEMBL29187457 0.71 ALOX15 (0.45) ALDH1A1MAPTTP53HTTLMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4704385-A MONOCYCLIC BETA-LACTAM ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1987-11-03 US disclosed
US-4678782-A ANTIBIOTICS BEECHAM GROUP P.L.C. (GB) 1987-07-07 US disclosed
US-4647558-A MONOCYCLIC B-LACTAM ANTIBIOTIC BEECHAM GROUP P.L.C. (GB) 1987-03-03 US disclosed
EP-0088488-B1 ANTIBACTERIAL AGENTS, THEIR PREPARATION AND USE BEECHAM GROUP PLC (GB) 1986-10-01 EP disclosed
EP-0088488-A1 Antibacterial agents, their preparation and use BEECHAM GROUP PLC (GB) 1983-09-14 EP disclosed
EP-0086563-A1 Antibacterial agents, their preparation and use BEECHAM GROUP PLC (GB) 1983-08-24 EP disclosed