SCHEMBL9875713

SCHEMBL9875713

CC(=O)NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OC[C@@H]4C)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.73
KMT2A Q03164 1/20 0.73
TOP2A P11388 6/20 0.59
TOP2B Q02880 6/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
HSD17B10 Q99714 2/20 0.59
ALB P02768 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
AADAT Q8N5Z0 2/20 0.58
TUBB4A P04350 1/20 0.58
POLB P06746 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58
TUBB2A Q13885 1/20 0.58
TUBB8 Q3ZCM7 1/20 0.58

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
SCHEMBL9873382 0.91 KDM4E (0.76) KDM4EKMT2ATOP2ATOP2BALDH1A1
Hydrochloric Acid SCHEMBL9873544 0.90 KDM4E (0.75) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL21074648 0.86 KDM4E (0.64) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL21074776 0.85 KDM4E (0.63) KDM4EKMT2ATOP2ATOP2BALDH1A1
Pazufloxacin SCHEMBL21074686 0.85 KDM4E (1.00) KDM4EKMT2ATOP2ATOP2BALDH1A1
Pazufloxacin SCHEMBL8386358 0.85 KDM4E (1.00) KDM4EKMT2ATOP2ATOP2BALDH1A1
Pazufloxacin SCHEMBL29381001 0.85 KDM4E (1.00) KDM4EKMT2ATOP2ATOP2BALDH1A1
Pazufloxacin SCHEMBL34460 0.85 KDM4E (1.00) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9873589 0.84 KDM4E (0.62) KDM4EKMT2ATOP2ATOP2BALDH1A1
SCHEMBL9874793 0.84 KDM4E (0.77) KDM4EKMT2ATOP2ATOP2BALDH1A1

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed