SCHEMBL10651607

SCHEMBL10651607

CCOc1ccc2c(c1)-c1nn(CCNCCO)c3ccc([N+](=O)[O-])c(c13)N2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.59
ALDH1A1 P00352 8/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
TOP2A P11388 1/20 0.36
MAPT P10636 9/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 3/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
RECQL P46063 1/20 0.33
HPGD P15428 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 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
SCHEMBL10654692 0.94 NQO1 (0.60) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10656332 0.87 NQO1 (0.55) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10847461 0.85 NQO1 (0.73) NQO1ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL10652265 0.85 NQO1 (0.75) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10848355 0.84 NQO1 (0.67) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10655030 0.83 NQO1 (0.49) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10649224 0.83 NQO1 (0.84) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10848168 0.78 NQO1 (0.66) NQO1KMT2ASMN1; SMN2TOP2AMAPT
SCHEMBL10653495 0.78 NQO1 (0.65) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10852871 0.78 NQO1 (0.67) NQO1ALDH1A1KMT2AMEN1SMN1; SMN2

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 5 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 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