SCHEMBL9536987

SCHEMBL9536987

C[C@H]1COc2c(N3CC4=C(C3)C(N)CC4)c(F)cc3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.67
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 6/20 0.66
HPGD P15428 4/20 0.66
HSD17B10 Q99714 2/20 0.66
ALB P02768 1/20 0.66
HRH3 Q9Y5N1 1/20 0.66
POLB P06746 2/20 0.65
TUBB4A P04350 1/20 0.65
TUBB P07437 1/20 0.65
TUBA3C P0DPH7 1/20 0.65
TUBA1B P68363 1/20 0.65
TUBA4A P68366 1/20 0.65
TUBB4B P68371 1/20 0.65
TUBB3 Q13509 1/20 0.65
TUBB2A Q13885 1/20 0.65
TUBB8 Q3ZCM7 1/20 0.65
TUBA3E Q6PEY2 1/20 0.65
TUBA1A Q71U36 1/20 0.65
SLC47A1 Q96FL8 1/20 0.65

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
SCHEMBL9537064 0.89 KDM4E (0.64) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9842834 0.85 KDM4E (0.79) AADATKDM4EALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL9843541 0.84 KDM4E (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9842703 0.84 KDM4E (0.72) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL11076172 0.83 AADAT (0.81) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9142971 0.83 AADAT (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9146426 0.83 AADAT (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9241429 0.83 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9649687 0.82 KDM4E (0.67) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL25377603 0.82 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10

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-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed