SCHEMBL10652380

SCHEMBL10652380

CCN(CC)CCn1nc2c3c(c([N+](=O)[O-])ccc31)Nc1ccc(C)cc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.61
TOP2A P11388 2/20 0.37
TOP2B Q02880 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 2/20 0.36
MITF O75030 1/20 0.36
DNMT1 P26358 1/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.36
UHRF1 Q96T88 1/20 0.36
MAPT P10636 2/20 0.33
SMARCA2 P51531 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL10652384 0.90 NQO1 (0.60) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10849850 0.89 NQO1 (0.61) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10845895 0.88 NQO1 (0.78) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10654140 0.88 NQO1 (0.56) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10848355 0.88 NQO1 (0.67) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10848168 0.87 NQO1 (0.66) NQO1TOP2ATOP2BSMN1; SMN2KMT2A
SCHEMBL10852871 0.86 NQO1 (0.67) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10653495 0.86 NQO1 (0.65) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10851210 0.86 NQO1 (0.62) NQO1TOP2ATOP2BSMN1; SMN2NPC1
SCHEMBL10854819 0.85 NQO1 (0.64) NQO1TOP2ATOP2BSMN1; SMN2NPC1

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