SCHEMBL10652265

SCHEMBL10652265

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.75
ALDH1A1 P00352 9/20 0.38
MAPT P10636 6/20 0.38
LMNA P02545 3/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 1/20 0.38
OPRM1 P35372 1/20 0.33
HPGD P15428 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL10649224 0.95 NQO1 (0.84) NQO1ALDH1A1MAPTLMNAMEN1
SCHEMBL10848355 0.92 NQO1 (0.67) NQO1ALDH1A1MAPTLMNAMEN1
SCHEMBL10850685 0.91 NQO1 (0.90) NQO1ALDH1A1MAPTKMT2AKDM4E
SCHEMBL10848168 0.86 NQO1 (0.66) NQO1MAPTKMT2ASMN1; SMN2OPRM1
Pyrazoloacridine SCHEMBL867991 0.86 NQO1 (1.00) NQO1ALDH1A1MAPTLMNAMEN1
Pyrazoloacridine SCHEMBL29373084 0.86 NQO1 (1.00) NQO1ALDH1A1MAPTLMNAMEN1
SCHEMBL10649172 0.85 NQO1 (0.69) NQO1ALDH1A1MAPTLMNAMEN1
SCHEMBL10852871 0.85 NQO1 (0.67) NQO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10653495 0.85 NQO1 (0.65) NQO1ALDH1A1MAPTMEN1KMT2A
SCHEMBL10651607 0.85 NQO1 (0.59) NQO1ALDH1A1MAPTLMNAMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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
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