SCHEMBL10547950

SCHEMBL10547950

O=C1CC(c2ccccc2[N+](=O)[O-])=NO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.47
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 5/20 0.44
MAPT P10636 4/20 0.44
RECQL P46063 2/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
PTPN1 P18031 1/20 0.42
S100A4 P26447 2/20 0.41
NOTUM Q6P988 1/20 0.41
PTPRC P08575 1/20 0.41
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
MGAM O43451 1/20 0.40

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
SCHEMBL9480764 0.73 CRBN (0.48) CRBNALDH1A1TDP1KMT2AMAPT
SCHEMBL10549335 0.72 AXL (0.51) CRBNALDH1A1TDP1KMT2AMAPT
SCHEMBL30535903 0.71 ALDH1A1 (0.74) ALDH1A1TDP1KMT2ARECQLL3MBTL1
SCHEMBL1287837 0.71 ALDH1A1 (0.74) ALDH1A1TDP1KMT2ARECQLL3MBTL1
SCHEMBL8362493 0.71 MAPT (0.50) CRBNALDH1A1TDP1KMT2AMAPT
SCHEMBL448095 0.70 CRBN (0.46) CRBNALDH1A1TDP1KMT2AMAPT
SCHEMBL22348268 0.70 SMN1; SMN2 (0.49) ALDH1A1TDP1KMT2AMAPTMEN1
SCHEMBL30987815 0.69 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AL3MBTL1MEN1
SCHEMBL29337140 0.69 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AL3MBTL1MEN1
Ammonia Solution, Strong SCHEMBL9060371 0.69 ALDH1A1 (0.71) ALDH1A1TDP1KMT2AL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed