SCHEMBL9300948

SCHEMBL9300948

CC(=O)Nc1cc(COCCCS(=O)(=O)O)cc(Nc2c3ccccc3nc3ccccc23)c1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 10/20 0.56
TOP2B Q02880 9/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
KDM1A O60341 2/20 0.53
LMNA P02545 2/20 0.53
RAD52 P43351 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53
RECQL P46063 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
ATM Q13315 1/20 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
SCHEMBL9301757 0.94 TOP2A (0.57) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9300945 0.91 TOP2A (0.54) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9301457 0.88 TOP2A (0.60) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9300335 0.87 TOP2A (0.56) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9299881 0.87 TOP2A (0.59) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9301749 0.86 TOP2A (0.56) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9300746 0.86 TOP2A (0.61) TOP2ATOP2BL3MBTL1KDM1ARAD52
SCHEMBL9300333 0.85 TOP2A (0.59) TOP2ATOP2BL3MBTL1KDM1ALMNA
SCHEMBL9301168 0.85 TOP2A (0.63) TOP2ATOP2BL3MBTL1KDM1ARAD52
SCHEMBL9300667 0.83 TOP2A (0.53) TOP2ATOP2BL3MBTL1KDM1ALMNA

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