SCHEMBL20125115

SCHEMBL20125115

CCOC(=O)c1cn2c3c(c(C)c(F)cc3c1=O)OC[C@H]2C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 3/20 0.55
TOP2B Q02880 3/20 0.55
KDM4E B2RXH2 6/20 0.55
KMT2A Q03164 1/20 0.55
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
HSD17B10 Q99714 2/20 0.54
ALB P02768 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
TUBB4A P04350 4/20 0.53
TUBB P07437 4/20 0.53
TUBA3C P0DPH7 4/20 0.53
TUBA1B P68363 4/20 0.53
TUBA4A P68366 4/20 0.53
TUBB4B P68371 4/20 0.53
TUBB3 Q13509 4/20 0.53
TUBB2A Q13885 4/20 0.53
TUBB8 Q3ZCM7 4/20 0.53
TUBA3E Q6PEY2 4/20 0.53
TUBA1A Q71U36 4/20 0.53

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
SCHEMBL19751491 1.00 TOP2A (0.55) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL30306119 0.92 TOP2A (0.55) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL2339241 0.92 TOP2A (0.55) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL5541223 0.92 TOP2A (0.55) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL15828544 0.90 TOP2A (0.54) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL10835611 0.90 TOP2A (0.54) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL9873615 0.88 TOP2A (0.52) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL10834348 0.87 TOP2A (0.66) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL2081327 0.87 CNR1 (0.54) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL2081331 0.87 CNR1 (0.54) TOP2ATOP2BKDM4EKMT2AALDH1A1

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-3318557-A2 QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2018-05-09 EP disclosed