SCHEMBL10655030

SCHEMBL10655030

O=[N+]([O-])c1ccc2c3c(nn2CCNCCO)-c2ccccc2Nc13

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.49
TOP2A P11388 1/20 0.44
MAPT P10636 4/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
INSR P06213 1/20 0.31
KDR P35968 1/20 0.31

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
SCHEMBL10656332 0.87 NQO1 (0.55) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10651607 0.83 NQO1 (0.59) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10654692 0.82 NQO1 (0.60) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10654140 0.80 NQO1 (0.56) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10815656 0.80 TOP2A (0.47) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10502527 0.79 TOP2A (0.44) NQO1TOP2AMAPTALDH1A1LMNA
SCHEMBL10847461 0.75 NQO1 (0.73) NQO1MAPTALDH1A1HPGDKMT2A
SCHEMBL8483564 0.72 TOP2A (0.41) NQO1TOP2A
SCHEMBL8485627 0.72 TOP2A (0.41) NQO1TOP2AMAPTPOLBMEN1
SCHEMBL10502014 0.71 TOP2A (0.41) NQO1TOP2AMAPTALDH1A1LMNA

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 4 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-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