SCHEMBL13625801

SCHEMBL13625801

O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1C(=O)CC[C@H]1CO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
HPGD P15428 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALB P02768 1/20 0.55
HRH3 Q9Y5N1 1/20 0.55
POLB P06746 3/20 0.54
AADAT Q8N5Z0 2/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBA3C P0DPH7 1/20 0.54
TUBA1B P68363 1/20 0.54
TUBA4A P68366 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBA3E Q6PEY2 1/20 0.54
TUBA1A Q71U36 1/20 0.54
SLC47A1 Q96FL8 1/20 0.54

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
SCHEMBL116377 0.85 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9750374 0.82 AADAT (0.58) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL116382 0.82 AADAT (0.58) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL116358 0.81 LMNA (0.52) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL10424572 0.80 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL115020 0.80 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9615256 0.78 KCNH2 (0.56) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL584219 0.77 AADAT (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL584176 0.77 AADAT (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL2527668 0.77 AADAT (0.52) KDM4EALDH1A1HPGDHSD17B10ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed