SCHEMBL9827399

SCHEMBL9827399

O=[N+]([O-])c1cnn(CC2CO2)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
CHRM1 P11229 1/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
POLB P06746 1/20 0.31
DHFR P00374 1/20 0.30

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
SCHEMBL22576567 0.78 SIGMAR1 (0.33) SMN1; SMN2MAPTPOLB
SCHEMBL26921892 0.77 MAPT (0.30) MAPTRAB9A
SCHEMBL2891807 0.73 ALDH1A1 (0.43) SMN1; SMN2MAPTPOLB
SCHEMBL2152620 0.72 PKM (0.48) POLB
SCHEMBL28003462 0.72 PKM (0.48) POLB
SCHEMBL23404192 0.69 TOP2A (0.39) CHRM1MAPT
SCHEMBL28186742 0.69 L3MBTL1 (0.44) TP53HBBSMN1; SMN2MAPTPOLB
SCHEMBL672209 0.69 ALDH1A1 (0.44) SMN1; SMN2MAPTPOLB
SCHEMBL9827403 0.69 JAK2 (0.39) TP53HBBSMN1; SMN2PRMT5WDR77
SCHEMBL15740398 0.69 DGAT1 (0.32) MAPTRAB9A

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
EP-0212558-B1 A RADIATION SENSITIZER ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1991-12-04 EP disclosed
US-4820844-A 2-(3'-NITRO-1'-TRIAZOLYL) ACETIC ACID ETHANOL AMIDE ADEKA ARGUS CHEMICAL CO., LTD. (JP) 1989-04-11 US disclosed
EP-0212558-A2 A radiation sensitizer ASAHI DENKA KOGYO KABUSHIKI KAISHA (JP) 1987-03-04 EP disclosed