SCHEMBL10945859

SCHEMBL10945859

CCN1CCN(c2cc3c(cc2F)c(=O)ccn3C2CC2)CC1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HPGD P15428 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TOP2A P11388 2/20 0.40
▸ TOP2B Q02880 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ PIK3CG P48736 5/20 0.39
▸ PIK3CD O00329 3/20 0.39
▸ PIK3R1 P27986 3/20 0.39
▸ PIK3CA P42336 3/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL10947254 0.86 KDM4E (0.44) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30564229 0.83 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10911553 0.81 KDM4E (0.76) KDM4EALDH1A1LMNAHPGDHSD17B10
Bicarbonate SCHEMBL10377652 0.80 ALDH1A1 (0.67) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL14585956 0.80 ALDH1A1 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL20286630 0.80 KCNH2 (0.48) KDM4EALDH1A1LMNAHPGDHSD17B10
Iodide SCHEMBL10838509 0.79 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10911558 0.78 KDM4E (0.61) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18864181 0.78 KDM4E (0.51) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL18864170 0.77 KDM4E (0.50) KDM4EALDH1A1LMNAHPGDHSD17B10

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-0113093-B1 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-4-OXO-7-(ALKYL-1-PIPERAZINYL)-3-QUINOLINE-CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND ANTIBACTERIAL AGENTS CONTAINING THEM BAYER AG (DE) 1986-05-21 — — EP claimed
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