SCHEMBL8388222

SCHEMBL8388222

CN1CCN(c2c(F)cc3c(=O)c(C(=O)C=O)cn(CCF)c3c2F)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.79
▸ ALDH1A1 P00352 8/20 0.53
▸ ADRA2B P18089 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HPGD P15428 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ ALB P02768 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ DRD3 P35462 1/20 0.45
▸ TUBB4A P04350 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TUBB P07437 1/20 0.45
▸ TUBA3C P0DPH7 1/20 0.45
▸ TUBA1B P68363 1/20 0.45
▸ TUBA4A P68366 1/20 0.45
▸ TUBB4B P68371 1/20 0.45
▸ TUBB3 Q13509 1/20 0.45
▸ TUBB2A Q13885 1/20 0.45
▸ TUBB8 Q3ZCM7 1/20 0.45
▸ TUBA3E Q6PEY2 1/20 0.45

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
Fleroxacin SCHEMBL48145 0.88 KDM4E (1.00) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL29377022 0.88 KDM4E (1.00) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL9745354 0.87 KDM4E (0.98) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL9745337 0.87 KDM4E (0.98) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL11193870 0.87 KDM4E (0.98) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL29114441 0.86 KDM4E (0.96) KDM4EALDH1A1ADRA2BMAPK1HPGD
Fleroxacin SCHEMBL9745343 0.86 KDM4E (0.80) KDM4EALDH1A1ADRA2BMAPK1HPGD
SCHEMBL13576353 0.85 KDM4E (0.79) KDM4EALDH1A1ADRA2BMAPK1HPGD
SCHEMBL8388220 0.85 KDM4E (0.79) KDM4EALDH1A1ADRA2BMAPK1HPGD
SCHEMBL28416321 0.85 KDM4E (0.71) KDM4EALDH1A1ADRA2BMAPK1HPGD

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-0907653-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1999-04-14 — — EP claimed
WO-1998000429-A1 PROCESS FOR THE PREPARATION OF PENAM AND PENEM DERIVATIVES ZENECA LIMITED (GB) 1998-01-08 — — WO claimed
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