SCHEMBL9852794

SCHEMBL9852794

CC(N)[C@H]1[C@@H]2CN(c3c(F)cc4c(=O)c(C(=O)O)cn5c4c3OCC5C)C[C@@H]21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.70
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 5/20 0.69
HPGD P15428 4/20 0.69
HSD17B10 Q99714 2/20 0.69
ALB P02768 1/20 0.69
HRH3 Q9Y5N1 1/20 0.69
TUBB4A P04350 2/20 0.68
TUBB P07437 2/20 0.68
TUBA3C P0DPH7 2/20 0.68
TUBA1B P68363 2/20 0.68
TUBA4A P68366 2/20 0.68
TUBB4B P68371 2/20 0.68
TUBB3 Q13509 2/20 0.68
TUBB2A Q13885 2/20 0.68
TUBB8 Q3ZCM7 2/20 0.68
TUBA3E Q6PEY2 2/20 0.68
TUBA1A Q71U36 2/20 0.68
TUBA1C Q9BQE3 2/20 0.68
TUBB6 Q9BUF5 2/20 0.68

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
SCHEMBL9484226 0.89 AADAT (0.75) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9146426 0.87 AADAT (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9142971 0.87 AADAT (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9840451 0.87 AADAT (0.71) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9524091 0.86 KDM4E (0.78) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL10406663 0.86 KDM4E (0.77) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2184107 0.85 AADAT (0.69) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12414667 0.85 AADAT (0.69) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL12414668 0.85 AADAT (0.69) AADATKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2183387 0.85 AADAT (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0413455-A2 Azabicyclo quinolone carboxylic acids PFIZER INC. (US) 1991-02-20 EP disclosed