SCHEMBL7423121

SCHEMBL7423121

O=c1[nH]ccc2cccc([N+](=O)[O-])c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
JAK2 O60674 1/20 0.54
RPS6KA3 P51812 1/20 0.54
MELK Q14680 1/20 0.54
STK24 Q9Y6E0 1/20 0.54
TYMS P04818 1/20 0.50
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 2/20 0.43
TDP1 Q9NUW8 3/20 0.42
APEX1 P27695 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42

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
SCHEMBL10463259 0.81 TYMS (0.46) ALDH1A1JAK2RPS6KA3MELKSTK24
SCHEMBL187697 0.79 ALDH1A1 (0.61) ALDH1A1TYMSKDM4EMEN1MAPT
SCHEMBL29626558 0.79 ALDH1A1 (0.61) ALDH1A1TYMSKDM4EMEN1MAPT
SCHEMBL259909 0.77 TDP1 (0.54) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL9056779 0.74 ALDH1A1 (0.52) ALDH1A1TYMSKDM4EMEN1MAPT
SCHEMBL30098446 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL307488 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL487276 0.74 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL4717435 0.73 NOS1 (0.64) ALDH1A1TYMSKDM4EMEN1MAPT
SCHEMBL15801718 0.72 ALDH1A1 (0.42) ALDH1A1TYMSKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998051307-A1 METHODS FOR TREATING INFLAMMATION, INFLAMMATORY DISEASES, ARTHRITIS AND STROKE USING pADPRT INHIBITORS OCTAMER, INC. (US) 1998-11-19 WO claimed
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
US-5670518-A ANTITUMOR AGENTS; VIRICIDES OCTAMER, INC. 1997-09-23 US disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed