SCHEMBL9827403

SCHEMBL9827403

O=[N+]([O-])c1cn(CC2CO2)nn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
L3MBTL1 Q9Y468 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
HBB P68871 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TGM2 P21980 1/20 0.31
ALDH1A1 P00352 1/20 0.31
DHFR P00374 1/20 0.30
PRMT5 O14744 1/20 0.30
WDR77 Q9BQA1 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL29133639 0.77 TGM2 (0.30) TGM2ALDH1A1
SCHEMBL29701951 0.73 ALDH1A1 (0.47) KMT2ATGM2ALDH1A1NPC1RAB9A
SCHEMBL9827386 0.73 TGM2 (0.39) L3MBTL1MEN1KMT2ATGM2ALDH1A1
SCHEMBL9440877 0.70 SMN1; SMN2 (0.48) L3MBTL1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2098175 0.70 ALDH1A1 (0.42) L3MBTL1KMT2ATP53HBBSMN1; SMN2
SCHEMBL31262919 0.70 ALDH1A1 (0.42) KMT2ATP53HBBSMN1; SMN2ALDH1A1
SCHEMBL5536073 0.70 ALDH1A1 (0.42) L3MBTL1KMT2ATP53HBBSMN1; SMN2
SCHEMBL10677125 0.70 ALDH1A1 (0.60) KMT2ATP53HBBSMN1; SMN2ALDH1A1
SCHEMBL23403970 0.69 ALDH1A1 (0.37) TGM2ALDH1A1PRMT5
SCHEMBL30116052 0.69 ALDH1A1 (0.37) MEN1KMT2ATGM2ALDH1A1

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