SCHEMBL9560362

SCHEMBL9560362

CC(C)(C)C1=Cn2cc(C(=O)O)c(=O)c3cc(F)c(F)c(c32)O1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.49
KDM4E B2RXH2 9/20 0.39
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 4/20 0.38
POLB P06746 2/20 0.38
HSP90AA1 P07900 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TOP2A P11388 6/20 0.38
TOP2B Q02880 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALB P02768 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
AADAT Q8N5Z0 2/20 0.37
TUBB4A P04350 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

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
SCHEMBL9560364 0.86 TOP1 (0.38) TOP1TOP2ATOP2B
SCHEMBL9509708 0.85 TOP1 (0.52) TOP1KDM4EKMT2AALDH1A1POLB
SCHEMBL9560276 0.82 TOP2A (0.57) TOP1KDM4EALDH1A1POLBTOP2A
SCHEMBL9560755 0.81 KDM4E (0.47) TOP1KDM4EKMT2AALDH1A1POLB
SCHEMBL9569188 0.81 TOP1 (0.41) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9509558 0.80 TOP1 (0.52) TOP1KDM4EALDH1A1POLBHSP90AA1
SCHEMBL9560567 0.79 STAT3 (0.37) TOP1KDM4EKMT2AALDH1A1TOP2A
SCHEMBL9569194 0.79 TOP1 (0.51) TOP1KDM4EKMT2AALDH1A1POLB
SCHEMBL9560791 0.79 KDM4E (0.59) TOP1KDM4EALDH1A1POLBTOP2A
SCHEMBL9560538 0.74 TOP1 (0.45) TOP1KDM4EALDH1A1POLBTOP2A

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-0563732-A1 7-oxo-7H-pyrido(1,2,3-de)(1,4)benzoxazinecarboxylic acids and esters and their use as antiviral agents BAYER AG (DE) 1993-10-06 EP disclosed