SCHEMBL10689802

SCHEMBL10689802

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1CN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
ALDH1A1 P00352 6/20 0.56
HPGD P15428 5/20 0.56
HSD17B10 Q99714 5/20 0.56
PMP22 Q01453 1/20 0.55
KCNH2 Q12809 2/20 0.45
TOP1 P11387 4/20 0.44
ALB P02768 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
AADAT Q8N5Z0 2/20 0.42
TUBB4A P04350 1/20 0.42
POLB P06746 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 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
SCHEMBL10686208 0.92 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10753883 0.89 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10753879 0.89 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10375286 0.86 KCNH2 (0.59) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL20850987 0.83 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9749475 0.83 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10621357 0.83 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10684169 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10684183 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10684174 0.82 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22

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
US-4753953-A Pyridonecarboxylic acid derivatives and antibacterial pharmaceutical compositions thereof KYORIN PHARMACEUTICAL CO., LTD. (JP) 1988-06-28 US disclosed
EP-0208210-A1 Pyridonecarboxylic acid derivatives and process for their preparation KYORIN PHARMACEUTICAL CO., LTD. (JP) 1987-01-14 EP disclosed