SCHEMBL9300207

SCHEMBL9300207

CN(CCCS(C)(=O)=O)c1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1CCCS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2B Q02880 9/20 0.48
TOP2A P11388 8/20 0.48
KDM1A O60341 4/20 0.39
RAD52 P43351 3/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 1/20 0.38
CYP1A2 P05177 3/20 0.37
CYP2D6 P10635 3/20 0.37
CYP2C9 P11712 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
GLA P06280 2/20 0.37
RAB9A P51151 2/20 0.37
SLC22A1 O15245 1/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 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
SCHEMBL9300764 0.77 TOP2B (0.53) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9301604 0.73 TOP2B (0.45) TOP2BTOP2ARAD52NCOA3KMT2A
SCHEMBL9301729 0.72 TOP2B (0.45) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9300541 0.71 TOP2B (0.48) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9301553 0.71 TOP2A (0.69) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9300838 0.70 TOP2A (0.54) TOP2BTOP2AKDM1AKMT2AGLA
SCHEMBL9301382 0.70 TOP2A (0.53) TOP2BTOP2AKDM1AKMT2AGLA
SCHEMBL9301751 0.69 TOP2B (0.47) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9300829 0.69 TOP2B (0.47) TOP2BTOP2AKDM1ARAD52NCOA3
SCHEMBL9300387 0.68 TOP2A (0.72) TOP2BTOP2AKDM1ARAD52NCOA3

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 3 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