SCHEMBL20756367

SCHEMBL20756367

c1ccc2c(c1)OOc1ccccc1-c1ccccc1OOc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
ATM Q13315 1/20 0.44
HSP90AA1 P07900 1/20 0.42
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
CDC25B P30305 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
POLB P06746 2/20 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
SCHEMBL3058111 1.00 KDM4E (0.44) KDM4EMAPK1ATMHSP90AA1ALOX15
SCHEMBL30969099 1.00 KDM4E (0.44) KDM4EMAPK1ATMHSP90AA1ALOX15
SCHEMBL30295894 0.82 PKM (0.62) KDM4EMAPK1ALOX15TDP1PKM
SCHEMBL443524 0.80 KDM4E (0.33) KDM4EMAPK1ATMHSP90AA1PKM
SCHEMBL20602047 0.80 ALOX15 (0.33) KDM4EMAPK1ATMHSP90AA1ALOX15
SCHEMBL8681096 0.80 MAPK1 (0.43) KDM4EMAPK1ATMHSP90AA1TSHR
SCHEMBL444379 0.80 KDM4E (0.33) KDM4EMAPK1ATMHSP90AA1PKM
SCHEMBL21552927 0.80 KDM4E (0.34) KDM4EMAPK1ATMHSP90AA1ALOX15
SCHEMBL8926462 0.80 AHR (0.34) KDM4EMAPK1ATMHSP90AA1ALOX15
SCHEMBL2362429 0.80 AHR (0.37) KDM4EMAPK1ATMHSP90AA1ALOX15

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-20190056663-A1 EXPANSION POLYMERIZATION IMPRINTING GLUE FOR NANO-PRINTING SOUTH UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA (CN) 2019-02-21 US disclosed