SCHEMBL9035160

SCHEMBL9035160

O=C1CCNc2c1cc(Cl)cc2[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 5/20 0.43
CTSL P07711 1/20 0.40
AKR1B1 P15121 1/20 0.38
ALDH1A1 P00352 6/20 0.37
F7 P08709 1/20 0.36
PARP1 P09874 1/20 0.36
F3 P13726 1/20 0.36
PARP10 Q53GL7 1/20 0.36
MAPK1 P28482 3/20 0.36
CHUK O15111 1/20 0.35
TSHR P16473 2/20 0.34
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 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
SCHEMBL4748791 0.82 MEN1 (0.43) KMT2AL3MBTL1MEN1MAPTCTSL
SCHEMBL9036456 0.78 ACHE (0.42) KMT2AL3MBTL1MEN1MAPTCTSL
SCHEMBL9036147 0.78 MEN1 (0.45) KMT2AL3MBTL1MEN1MAPTCTSL
SCHEMBL17513282 0.77 MEN1 (1.00) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL6200472 0.75 MAPT (0.57) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL9037964 0.74 KMT2A (0.70) KMT2AL3MBTL1MEN1MAPTAKR1B1
SCHEMBL2278697 0.74 MEN1 (0.70) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL13993102 0.74 ALDH1A1 (0.38) KMT2AL3MBTL1MEN1MAPTAKR1B1
SCHEMBL22421151 0.71 ALDH1A1 (0.47) L3MBTL1MAPTALDH1A1MAPK1CHUK
SCHEMBL505299 0.70 CES1 (0.59) KMT2AL3MBTL1MEN1MAPTAKR1B1

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