SCHEMBL9036147

SCHEMBL9036147

O=C1CCNc2c([N+](=O)[O-])cc(Cl)c(Cl)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
VCAM1 P19320 2/20 0.35
CTSL P07711 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33

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
SCHEMBL9035160 0.78 KMT2A (0.62) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL9036335 0.76 MEN1 (0.51) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL8872843 0.71 CES1 (0.43) ALDH1A1TSHRVCAM1TDP1MAPK1
SCHEMBL4748791 0.69 MEN1 (0.43) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL13993102 0.67 ALDH1A1 (0.38) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL3925661 0.66 HTR2A (0.49) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL9036456 0.66 ACHE (0.42) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL9035276 0.66 MAPT (0.54) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL6200472 0.65 MAPT (0.57) MEN1KMT2AL3MBTL1MAPTALDH1A1
SCHEMBL9194645 0.64 TSHR (0.61) MEN1KMT2AMAPTALDH1A1TSHR

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-0405442-B1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARM CO LTD (JP) 1996-09-04 EP disclosed
US-5151431-A Diuretics MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1992-09-29 US disclosed
EP-0405442-A1 4,5-Dihydro-6H-imidazo[4,5,1-ij]quinolin-6-one-6-oxime-O-sulfonic acid derivatives MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1991-01-02 EP disclosed