SCHEMBL29954633

SCHEMBL29954633

O=Cc1coc2c([N+](=O)[O-])cc(F)cc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.50
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTPN2 P17706 2/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
PRKDC P78527 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ERN1 O75460 2/20 0.33
HTT P42858 1/20 0.33
TPST2 O60704 1/20 0.33
SULT1E1 P49888 1/20 0.33

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
SCHEMBL13978677 0.86 PTPN1 (0.50) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL27003687 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL28262152 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29951925 0.83 PTPN1 (0.49) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29956402 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL27003696 0.83 PTPN1 (0.49) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29952203 0.77 PTPN1 (0.55) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29951299 0.67 PTPN1 (1.00) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL13978663 0.67 PTPN1 (1.00) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL21591567 0.67 PTPN1 (0.60) PTPN1MEN1POLBKMT2AMAOA

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed