SCHEMBL9302086

SCHEMBL9302086

O=C(O)CNc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1CC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 5/20 0.50
TOP2B Q02880 5/20 0.50
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
ATM Q13315 1/20 0.41
KMT2A Q03164 7/20 0.41
POLB P06746 6/20 0.41
MEN1 O00255 5/20 0.41
GAA P10253 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
GLA P06280 2/20 0.41

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
SCHEMBL9301385 0.79 TOP2A (0.69) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9547245 0.75 TOP2A (0.48) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300965 0.74 TOP2A (0.45) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9300208 0.74 KDM4E (0.48) TOP2ATOP2BKMT2APOLBMEN1
SCHEMBL9547265 0.73 TOP2A (0.46) TOP2ATOP2BKMT2APOLBMEN1
SCHEMBL9300764 0.73 TOP2B (0.53) TOP2ATOP2BKMT2APOLBMEN1
SCHEMBL1864822 0.72 POLB (0.61) TOP2AATMKMT2APOLBMEN1
SCHEMBL9300352 0.72 TOP2A (0.48) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9301922 0.72 TOP2A (0.43) TOP2ATOP2BHDAC3HDAC4HDAC1
SCHEMBL9301751 0.72 TOP2B (0.47) 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 4 patents. 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
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO claimed
US-5354864-A Antitumor agents SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1994-10-11 US disclosed
WO-1993023049-A1 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1993-11-25 WO disclosed