SCHEMBL9506713

SCHEMBL9506713

Cc1sc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 2/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
S100A4 P26447 1/20 0.43
GPR3 P46089 1/20 0.41
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL28932849 0.78 S100A4 (0.52) MAPTKMT2AHPGDMEN1LMNA
SCHEMBL28769752 0.78 HPGD (0.50) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL18859795 0.77 HPRT1 (0.47) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL963270 0.76 HASPIN (0.40) MAPTKMT2AHPGDMEN1ALDH1A1
SCHEMBL18804144 0.75 L3MBTL1 (0.47) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL11767284 0.75 MAPT (0.46) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL28556282 0.74 MCL1 (0.56) MAPTKMT2AHPGDMEN1LMNA
SCHEMBL2164909 0.73 MAPT (0.43) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL2165461 0.73 LMNA (0.43) MAPTKMT2AHPGDMEN1TSHR
SCHEMBL2164911 0.73 MAPT (0.43) MAPTKMT2AHPGDMEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5001056-A None JP disclosed
CN-116606186-A Aromatic nitro compound and preparation method thereof 川北医学院 2023-08-18 CN disclosed
JP-H051056-A BENZOTHIOPHENE COMPOUND SEIKO EPSON CORP 1993-01-08 JP disclosed