SCHEMBL9301849

SCHEMBL9301849

CCC(CC(C)=O)C(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1C(=O)C(CC)CC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 6/20 0.43
TOP2B Q02880 6/20 0.43
KMT2A Q03164 3/20 0.39
POLB P06746 3/20 0.39
KDM4E B2RXH2 2/20 0.39
KDM1A O60341 2/20 0.39
RAD52 P43351 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.37
TSHR P16473 1/20 0.37
GLA P06280 1/20 0.36
LY6K Q17RY6 1/20 0.36
GAA P10253 1/20 0.36
ADORA1 P30542 1/20 0.35

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
SCHEMBL9300026 0.85 TOP2B (0.46) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300424 0.83 TOP2A (0.60) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300047 0.77 KMT2A (0.53) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300158 0.75 TOP2A (0.50) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300142 0.74 TOP2A (0.56) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9301426 0.73 TOP2A (0.55) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300653 0.72 POLB (0.47) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9299772 0.71 TOP2A (0.62) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9301920 0.70 TOP2A (0.45) TOP2ATOP2BKMT2APOLBKDM4E
SCHEMBL9300901 0.69 KDM4E (0.48) TOP2ATOP2BKMT2APOLBKDM4E

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 disclosed
US-5332853-A Alkylating tetrachlorosilane or an alkylchlorosilane with an alkyllithium using ether, metal alkoxide, amine, or metal amide as catalyst FMC CORPORATION (US) 1994-07-26 US disclosed
EP-0525880-A1 Catalytic alkylation process FMC CORPORATION (US) 1993-02-03 EP disclosed
US-4440965-A AVERAGE MOLECULAR WEIGHT OF 150 TO 3000 PHILLIPS PETROLEUM COMPANY (US) 1984-04-03 US disclosed