SCHEMBL10651902

SCHEMBL10651902

O=c1c2ccccc2[nH]c2c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.51
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43

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
SCHEMBL10651679 0.83 MEN1 (0.48) SIRT2ALDH1A1LMNAKMT2AMEN1
SCHEMBL7220724 0.82 SIRT2 (0.46) SIRT2CTSVCTSLALDH1A1LMNA
SCHEMBL10649276 0.80 CTSV (0.56) CTSVCTSLALDH1A1LMNAKMT2A
SCHEMBL10651179 0.79 CTSV (0.61) CTSVCTSLALDH1A1LMNAKMT2A
SCHEMBL10651893 0.78 KDM4E (0.45) CTSVCTSLALDH1A1LMNAKMT2A
SCHEMBL28484392 0.74 CHUK (0.67) SIRT2CTSVCTSLALDH1A1LMNA
SCHEMBL28477678 0.74 GABRA1 (0.48) SIRT2ALDH1A1KMT2AMEN1NPC1
SCHEMBL2652841 0.74 ABCB1 (0.65) SIRT2CTSVCTSLALDH1A1LMNA
SCHEMBL5142127 0.74 CTSV (0.55) SIRT2CTSVCTSLALDH1A1LMNA
SCHEMBL7491879 0.74 PARP1 (0.62) SIRT2CTSVCTSLALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0138302-B1 PYRAZOLO(3,4,5-KL)ACRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-03-09 EP claimed
EP-0138302-A1 Pyrazolo(3,4,5-kl)acridine compounds, pharmaceutical compositions comprising the same and processes for their production WARNER-LAMBERT COMPANY (US) 1985-04-24 EP claimed
EP-0138302-B1 PYRAZOLO(3,4,5-KL)ACRIDINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1988-03-09 EP disclosed
US-4621086-A Method of treating leukemia with pyrazolo[3,4,5-kl]acridines WARNER-LAMBERT COMPANY (US) 1986-11-04 US disclosed
US-4588730-A Pyrazolo[3,4,5-k1]acridine compositions and methods for their use as antimicrobials WARNER-LAMBERT COMPANY (US) 1986-05-13 US disclosed
US-4555572-A Pyrazolo[3,4,5-kl]acridine compositions and methods for their production and use WARNER-LAMBERT COMPANY (US) 1985-11-26 US disclosed
EP-0138302-A1 Pyrazolo(3,4,5-kl)acridine compounds, pharmaceutical compositions comprising the same and processes for their production WARNER-LAMBERT COMPANY (US) 1985-04-24 EP disclosed