SCHEMBL7976653

SCHEMBL7976653

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCCCCCl

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 18/20 0.85
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
KDM4E B2RXH2 2/20 0.62
ALDH1A1 P00352 2/20 0.62
TP53 P04637 2/20 0.62
GLA P06280 2/20 0.62
HPGD P15428 2/20 0.62
STAT6 P42226 1/20 0.62
CHEK1 O14757 1/20 0.62
HDAC3 O15379 1/20 0.62
ABCC4 O15439 1/20 0.62
GMNN O75496 1/20 0.62
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
HNRNPA1 P09651 1/20 0.62
GAA P10253 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62

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
SCHEMBL4455085 0.94 TOP1 (0.94) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4557415 0.94 TOP1 (0.94) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL1728533 0.92 TOP1 (1.00) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL27588707 0.91 TOP1 (0.89) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL23432536 0.91 TOP1 (0.85) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL4453581 0.90 TOP1 (0.90) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7976715 0.90 TOP1 (0.83) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL19521271 0.90 TOP1 (0.83) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL24513849 0.90 TOP1 (0.86) TOP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL11070279 0.90 TOP1 (0.86) TOP1MEN1KMT2AKDM4EALDH1A1

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-6291676-B1 AS ANTIPROLIFERATIVE AGENT UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2001-09-18 US disclosed