SCHEMBL7097796

SCHEMBL7097796

CN1Cc2ccc(-c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@@H]5F)c4c3OCF)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 11/20 0.43
TOP2B Q02880 11/20 0.43
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 4/20 0.39
GSK3B P49841 1/20 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
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 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
SCHEMBL7097801 1.00 TOP2A (0.43) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL7009308 0.91 CYP3A4 (0.47) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL8325067 0.91 CYP3A4 (0.47) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL7013089 0.90 TOP2A (0.54) TOP2ATOP2BKDM4EGSK3BALDH1A1
SCHEMBL7095437 0.89 TOP2A (0.43) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL8321408 0.89 TOP2A (0.43) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL7012871 0.88 TOP2A (0.43) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL8317967 0.88 TOP2A (0.43) TOP2ATOP2BCYP3A4KDM4EGSK3B
SCHEMBL8319164 0.87 TOP2A (0.56) TOP2ATOP2BCYP3A4KDM4EALDH1A1
SCHEMBL7009753 0.87 TOP2A (0.56) TOP2ATOP2BCYP3A4KDM4EALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775702-B1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2003-07-23 EP disclosed
US-5935952-A ANTIBACTERIAL AGENT TOYAMA CHEMICAL CO., LTD. (JP) 1999-08-10 US disclosed
EP-0775702-A1 NOVEL QUINOLONE- OR NAPHTHYRIDONECARBOXYLIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-05-28 EP disclosed