SCHEMBL9301670

SCHEMBL9301670

CCC(Cc1cc(NCCCC(=O)O)cc(Nc2c3ccccc3nc3ccccc23)c1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 13/20 0.51
TOP2B Q02880 9/20 0.51
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
KDM1A O60341 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9547301 0.88 TOP2A (0.41) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300851 0.85 TOP2A (0.49) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9301580 0.84 TOP2A (0.71) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300857 0.80 TOP2A (0.54) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300496 0.79 TOP2A (0.52) TOP2ATOP2BKDM4EMAPTL3MBTL1
SCHEMBL9300409 0.77 TOP2A (0.45) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9299690 0.77 TOP2A (0.73) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9299915 0.77 TOP2A (0.53) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9299935 0.76 TOP2A (0.68) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300420 0.76 TOP2A (0.49) TOP2ATOP2BHDAC3HDAC4HDAC1

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-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US claimed