SCHEMBL29952203

SCHEMBL29952203

O=Cc1coc2c([N+](=O)[O-])cccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.55
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ERN1 O75460 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
GPR35 Q9HC97 1/20 0.41
ALDH1A1 P00352 3/20 0.40
PTPN2 P17706 2/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28477789 0.79 TDP1 (0.47) POLBMEN1KMT2AMAOATDP1
SCHEMBL27003687 0.77 PTPN1 (0.65) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL27003696 0.77 PTPN1 (0.49) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29956402 0.77 PTPN1 (0.65) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29951925 0.77 PTPN1 (0.49) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL28262152 0.77 PTPN1 (0.65) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL29954633 0.77 PTPN1 (0.50) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL30307601 0.75 PTPN1 (0.62) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL30307600 0.75 PTPN1 (0.62) PTPN1POLBMEN1KMT2AMAOA
SCHEMBL7251833 0.73 TDP1 (0.52) POLBMEN1KMT2AMAOATDP1

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