SCHEMBL9728447

SCHEMBL9728447

CCOC(=O)c1cn2c3c(c(OC4CCN(C(=O)OC(C)(C)C)C4)c(F)cc3c1=O)OCC2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
ALDH1A1 P00352 6/20 0.43
HPGD P15428 5/20 0.43
HSD17B10 Q99714 3/20 0.43
ALB P02768 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42
TUBB2B Q9BVA1 4/20 0.42

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
SCHEMBL9728418 0.84 ADRB2 (0.53) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10435765 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL5541223 0.77 TOP2A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL19751491 0.77 TOP2A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL2339241 0.77 TOP2A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL30306119 0.77 TOP2A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL20125115 0.77 TOP2A (0.55) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL9728544 0.77 ADRB2 (0.44) KDM4EALDH1A1HPGDHSD17B10TOP2A
SCHEMBL10413345 0.77 TOP2A (0.50) KDM4EALDH1A1HPGDHSD17B10ALB
SCHEMBL13663766 0.77 TOP2A (0.50) 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
US-5153203-A QUINOLONE DERIVATIVES AND SALTS THEREOF, PREPARATION PROCESSES THEREOF, AND ANTIBACTERIAL AGENTS CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-10-06 US disclosed