SCHEMBL9509737

SCHEMBL9509737

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC=C4)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.64
ALDH1A1 P00352 5/20 0.62
HPGD P15428 4/20 0.62
HSD17B10 Q99714 3/20 0.62
ALB P02768 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
TUBB4A P04350 1/20 0.61
POLB P06746 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61
TUBA1A Q71U36 1/20 0.61
SLC47A1 Q96FL8 1/20 0.61
TUBA1C Q9BQE3 1/20 0.61

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
SCHEMBL9560547 0.88 TOP2A (0.58) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9509742 0.87 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9512148 0.84 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9560213 0.83 KDM4E (0.50) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9560445 0.82 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9560461 0.82 KDM4E (0.45) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9461276 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9513029 0.81 KDM4E (0.58) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL2738965 0.79 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9513066 0.79 TOP2A (0.59) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0563732-A1 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP claimed
EP-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP claimed
US-4816451-A Antibacterial 1,8-bridged 4-quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-03-28 US claimed
EP-0563733-A1 Use of 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxacin-6-carboxylic acid- and esters for the manufacture of a medicament for the treatment of viral diseases BAYER AG (DE) 1993-10-06 EP disclosed
US-4816451-A Antibacterial 1,8-bridged 4-quinolonecarboxylic acids BAYER AKTIENGESELLSCHAFT (DE) 1989-03-28 US disclosed