SCHEMBL29951925

SCHEMBL29951925

Cc1cc([N+](=O)[O-])c2occ(C=O)c(=O)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.49
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR35 Q9HC97 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 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
SCHEMBL27003696 1.00 PTPN1 (0.49) PTPN1MEN1POLBKMT2AGPR35
SCHEMBL28262152 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29956402 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL27003687 0.83 PTPN1 (0.65) PTPN1MEN1POLBKMT2AGPR35
SCHEMBL29954633 0.83 PTPN1 (0.50) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL5373635 0.79 PTPN1 (0.54) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL29952203 0.77 PTPN1 (0.55) PTPN1MEN1POLBKMT2AGPR35
SCHEMBL23887130 0.77 PTPN1 (0.72) PTPN1MEN1POLBKMT2AMAOA
SCHEMBL28263226 0.71 LMNA (0.47) MEN1KMT2AGPR35CYP3A4KDM4E
SCHEMBL13978677 0.69 PTPN1 (0.50) 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