SCHEMBL9148784

SCHEMBL9148784

CC1COc2c(Cl)cc([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.51
TOP2B Q02880 4/20 0.51
KDM4E B2RXH2 6/20 0.46
TUBB4A P04350 1/20 0.46
POLB P06746 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
SLC47A1 Q96FL8 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46

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
SCHEMBL9416408 0.85 KDM4E (0.37) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL9149658 0.84 TOP2A (0.57) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL9149039 0.83 TOP2A (0.59) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL10906287 0.83 TOP2A (0.49) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL11858325 0.80 TOP2A (0.44) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL2194453 0.78 TOP2A (0.56) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL11853873 0.76 TOP2A (0.60) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL9144791 0.75 TOP2A (0.58) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL11856428 0.73 TOP2A (0.60) TOP2ATOP2BKDM4ETUBB4APOLB
SCHEMBL5679846 0.72 KDM4E (0.64) TOP2ATOP2BKDM4ETUBB4APOLB

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-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 US disclosed