SCHEMBL9872072

SCHEMBL9872072

NC1(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCC42CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
KMT2A Q03164 1/20 0.63
TOP1 P11387 6/20 0.40
GSK3B P49841 2/20 0.40
AADAT Q8N5Z0 2/20 0.39
TOP2A P11388 9/20 0.38
TOP2B Q02880 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
TUBB4A P04350 1/20 0.37
POLB P06746 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37

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
SCHEMBL1185781 0.86 KDM4E (0.45) KDM4EKMT2ATOP1GSK3BAADAT
SCHEMBL1185901 0.82 GSK3B (0.47) KDM4EKMT2ATOP1GSK3BAADAT
SCHEMBL8090221 0.82 GSK3B (0.47) KDM4EKMT2ATOP1GSK3BAADAT
SCHEMBL21594482 0.80 KDM4E (0.64) KDM4EKMT2ATOP1AADATTOP2A
SCHEMBL9872260 0.78 KDM4E (0.62) KDM4EKMT2ATOP1AADATTOP2A
Pazufloxacin SCHEMBL21074686 0.78 KDM4E (1.00) KDM4EKMT2AGSK3BAADATTOP2A
Pazufloxacin SCHEMBL29381001 0.78 KDM4E (1.00) KDM4EKMT2AGSK3BAADATTOP2A
Pazufloxacin SCHEMBL34460 0.78 KDM4E (1.00) KDM4EKMT2AGSK3BAADATTOP2A
Bromide SCHEMBL9875030 0.78 KDM4E (0.61) KDM4EKMT2ATOP1AADATTOP2A
Pazufloxacin SCHEMBL8386358 0.78 KDM4E (1.00) KDM4EKMT2AGSK3BAADATTOP2A

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 claimed