SCHEMBL7848826

SCHEMBL7848826

CCOC(=O)Oc1cn2c3c(c(Cl)ncc3c1=O)OCC2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.39
TOP2B Q02880 4/20 0.39
KDM4E B2RXH2 5/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
HSD17B10 Q99714 2/20 0.35
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
AADAT Q8N5Z0 2/20 0.35
TUBB4A P04350 1/20 0.35
POLB P06746 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35

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
SCHEMBL8692158 0.86 TOP2A (0.44) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL7016264 0.80 KDM4E (0.51) TOP2ATOP2BKDM4EKMT2AALDH1A1
SCHEMBL7840741 0.78 ADRB2 (0.34) TOP2ATOP2BKMT2AALDH1A1HSD17B10
SCHEMBL7503528 0.77 ADRB2 (0.40) TOP2ATOP2B
SCHEMBL7851893 0.76 CYP3A4 (0.31) CUL4A
SCHEMBL7841811 0.73 TDP1 (0.37) KMT2AALDH1A1HSD17B10POLBCUL4A
SCHEMBL7840720 0.71 TNF (0.33) KDM4EKMT2AALDH1A1HSD17B10POLB
SCHEMBL7849137 0.69 KDM4E (0.33) KDM4EALDH1A1CUL4A
SCHEMBL7849978 0.68 GABRA2 (0.39) KMT2APOLB
SCHEMBL11200216 0.68 TOP2A (0.49) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726270-B1 Derivatives of 1,6-naphthyridone carboxylic acids BAYER AG (DE) 2001-05-23 EP disclosed
EP-0726270-A1 Derivatives of 1,6-naphthyridine carboxylic acids BAYER AG (DE) 1996-08-14 EP disclosed