SCHEMBL10848355

SCHEMBL10848355

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.67
OPRM1 P35372 2/20 0.41
ALDH1A1 P00352 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
TOP2A P11388 2/20 0.36
TOP2B Q02880 2/20 0.36
POLB P06746 2/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
DNMT1 P26358 1/20 0.34
HTT P42858 1/20 0.34
RAD52 P43351 1/20 0.34
RAB9A P51151 1/20 0.34
UHRF1 Q96T88 1/20 0.34

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
SCHEMBL10848168 0.94 NQO1 (0.66) NQO1OPRM1MAPTSMN1; SMN2KMT2A
SCHEMBL10852871 0.93 NQO1 (0.67) NQO1OPRM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10653495 0.93 NQO1 (0.65) NQO1OPRM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10652265 0.92 NQO1 (0.75) NQO1OPRM1ALDH1A1MAPTLMNA
SCHEMBL10845895 0.92 NQO1 (0.78) NQO1OPRM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL10853772 0.90 NQO1 (0.68) NQO1OPRM1MAPTLMNASMN1; SMN2
SCHEMBL10851210 0.89 NQO1 (0.62) NQO1OPRM1SMN1; SMN2KMT2AKDM4E
SCHEMBL10854819 0.89 NQO1 (0.64) NQO1OPRM1MAPTSMN1; SMN2KMT2A
SCHEMBL10649224 0.89 NQO1 (0.84) NQO1OPRM1ALDH1A1MAPTLMNA
SCHEMBL10654825 0.88 NQO1 (0.51) NQO1OPRM1ALDH1A1MAPTLMNA

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 6 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
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