SCHEMBL9636841

SCHEMBL9636841

CC(=O)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCO)c3c2F)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.71
ALDH1A1 P00352 7/20 0.54
HSD17B10 Q99714 7/20 0.54
HPGD P15428 6/20 0.54
PMP22 Q01453 1/20 0.53
ADRA2B P18089 1/20 0.49
MAPK1 P28482 1/20 0.49
ALB P02768 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
DRD3 P35462 1/20 0.47
TUBB4A P04350 1/20 0.46
POLB P06746 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46

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
SCHEMBL9635302 0.91 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL312186 0.91 KDM4E (0.86) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL11187032 0.88 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDPMP22
Hydrochloric Acid SCHEMBL11187784 0.86 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL11182346 0.84 KDM4E (0.68) KDM4EALDH1A1HSD17B10HPGDPMP22
Fleroxacin SCHEMBL29377022 0.83 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDPMP22
Fleroxacin SCHEMBL48145 0.83 KDM4E (1.00) KDM4EALDH1A1HSD17B10HPGDPMP22
Fleroxacin SCHEMBL9745354 0.82 KDM4E (0.98) KDM4EALDH1A1HSD17B10HPGDPMP22
SCHEMBL21783262 0.82 KDM4E (0.86) KDM4EALDH1A1HSD17B10HPGDPMP22
Fleroxacin SCHEMBL11193870 0.82 KDM4E (0.98) KDM4EALDH1A1HSD17B10HPGDPMP22

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-0195135-B1 A PROCESS FOR THE PREPARATION OF QUINOLINE CARBOXYLIC ACID DERIVATIVES KYORIN SEIYAKU KABUSHIKI KAISHA (JP) 1992-06-17 EP disclosed