SCHEMBL7262190

SCHEMBL7262190

Cc1cc(C)cc(C(=O)COCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 1/20 0.43
TACR1 P25103 5/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSPO P30536 2/20 0.42

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
SCHEMBL7262188 0.87 TACR1 (0.50) KMT2ANPC1RAB9AMEN1TACR1
SCHEMBL657234 0.83 TDP1 (0.55) KMT2AKDM4ENPC1RAB9ATSHR
SCHEMBL6915906 0.80 GLRA1 (0.44) KMT2ANPC1RAB9ATSHRALDH1A1
SCHEMBL12691361 0.78 LMNA (0.56) KMT2AKDM4EPOLBNPC1MEN1
SCHEMBL8864405 0.77 PTPRC (0.59) KMT2ANPC1RAB9AMEN1ALDH1A1
SCHEMBL8557631 0.77 MEN1 (0.56) KMT2ARAB9AMEN1ALDH1A1L3MBTL1
SCHEMBL2786958 0.77 NPC1 (0.55) NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12020911 0.77 TDP1 (0.68) KMT2AKDM4EPOLBNPC1RAB9A
Chloroform SCHEMBL28141196 0.77 NPC1 (0.49) KMT2AKDM4ENPC1RAB9ATSHR
SCHEMBL9653413 0.76 NPC1 (0.65) KMT2APOLBNPC1RAB9AMEN1

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-6657052-B1 Labeling DNA or RNA at a specific site consisting of stable precursor, and only becomes reactive upon activation; alkylating only phosphodiester groups; lactonization reaction traps the trialkylphosphate in a stable form. UNIVERSITY OF ARKANSAS 2003-12-02 US disclosed