SCHEMBL9422686

SCHEMBL9422686

O=[N+]([O-])c1ccc(Cl)c2c(Cl)c3ccccc3nc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
PIM3 Q86V86 4/20 0.48
PIM1 P11309 3/20 0.48
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
MAPT P10636 5/20 0.43
F2 P00734 1/20 0.43
C1R P00736 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GUSB P08236 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.39
KLK3 P07288 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL13313370 0.81 MEN1 (0.54) ALDH1A1PIM3PIM1MEN1KMT2A
SCHEMBL10648737 0.78 PIM3 (0.55) ALDH1A1PIM3PIM1MEN1KMT2A
SCHEMBL4155798 0.78 KMT2A (0.52) ALDH1A1PIM3PIM1MEN1KMT2A
SCHEMBL2918502 0.78 NQO2 (0.45) ALDH1A1PIM3PIM1MEN1KMT2A
SCHEMBL11811233 0.72 TDP1 (0.71) ALDH1A1TDP1MAPK1
SCHEMBL27961868 0.71 NQO2 (0.54) ALDH1A1KDM4EMAOAMAOBMAPT
SCHEMBL21632212 0.70 MAOA (0.53) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL202663 0.69 POLB (0.51) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL159319 0.69 MAOA (0.52) ALDH1A1MEN1KMT2ATDP1KDM4E
SCHEMBL29381779 0.69 POLB (0.51) ALDH1A1MEN1KMT2ATDP1KDM4E

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 9 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
JP-6041127-A None JP disclosed
EP-0260551-A2 Isoprene derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1988-03-23 EP disclosed
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