SCHEMBL10656332

SCHEMBL10656332

Cc1ccc2c(c1)-c1nn(CCNCCO)c3ccc([N+](=O)[O-])c(c13)N2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.55
TOP2A P11388 1/20 0.39
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 1/20 0.33
ALPL P05186 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10651607 0.87 NQO1 (0.59) NQO1TOP2ANPSR1MAPTKMT2A
SCHEMBL10655030 0.87 NQO1 (0.49) NQO1TOP2ACYP3A4CYP2C9MAPT
SCHEMBL10654692 0.86 NQO1 (0.60) NQO1TOP2ACYP3A4CYP2C9MAPT
SCHEMBL10652380 0.82 NQO1 (0.61) NQO1TOP2ACYP3A4CYP2C9NPSR1
SCHEMBL10847461 0.80 NQO1 (0.73) NQO1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10652384 0.74 NQO1 (0.60) NQO1TOP2AMAPTKMT2ANPC1
SCHEMBL10651593 0.74 NQO1 (0.78) NQO1TOP2ANPSR1KMT2AMEN1
SCHEMBL10649172 0.73 NQO1 (0.69) NQO1NPSR1MAPTKMT2AMEN1
SCHEMBL10650670 0.73 NQO1 (0.77) NQO1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL10850685 0.72 NQO1 (0.90) NQO1MAPTKMT2ARAB9AALDH1A1

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 3 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-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