SCHEMBL30469265

SCHEMBL30469265

O=[N+]([O-])c1cccc(-c2ccc3c(c2)Cc2ccccc2-3)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.64
PGR P06401 3/20 0.56
ADORA1 P30542 1/20 0.55
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RAB9A P51151 2/20 0.50
TLR9 Q9NR96 1/20 0.50
HSP90AA1 P07900 1/20 0.48
PTPRC P08575 1/20 0.48
LAP3 P28838 1/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CNR1 P21554 1/20 0.46
TSHR P16473 1/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP1A2 P05177 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL20557354 1.00 TDP2 (0.64) TDP2PGRADORA1MAPTLMNA
2-Nitrofluorene SCHEMBL29450702 0.84 MAPT (0.68) TDP2PGRMAPTLMNAMEN1
2-Nitrofluorene SCHEMBL644332 0.84 MAPT (0.68) TDP2PGRMAPTLMNAMEN1
2-Nitrofluorene SCHEMBL28186600 0.83 MAPT (0.62) TDP2PGRMAPTLMNAMEN1
SCHEMBL7618863 0.81 MAPT (0.58) TDP2PGRMAPTLMNAMEN1
SCHEMBL12379603 0.80 TDP2 (0.59) TDP2PGRADORA1MAPTLMNA
Fluorene SCHEMBL28402445 0.79 ALDH1A1 (0.64) MAPTLMNAMEN1KMT2ARAB9A
2-Nitrofluorene SCHEMBL28251179 0.79 MAPT (0.60) TDP2PGRMAPTLMNAMEN1
SCHEMBL3414807 0.79 ALDH1A1 (0.63) TDP2MAPTLMNAMEN1KMT2A
SCHEMBL30395577 0.79 ALDH1A1 (0.63) TDP2MAPTLMNAMEN1KMT2A

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
CN-116283668-A Diaryl ureas as CB1 allosteric modulators 研究三角协会 2023-06-23 CN disclosed