SCHEMBL7218334

SCHEMBL7218334

NCc1ccc(N)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
TDP1 Q9NUW8 4/20 0.60
CYP3A4 P08684 2/20 0.60
ALOX15 P16050 2/20 0.60
TSHR P16473 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 2/20 0.56
RECQL P46063 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MEN1 O00255 5/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
MCL1 Q07820 1/20 0.41
SNCA P37840 1/20 0.40
PDE7A Q13946 2/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL38658431 0.88 ALDH1A1 (0.64) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL1351968 0.86 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL29389163 0.86 ALDH1A1 (0.62) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL358991 0.85 ALDH1A1 (0.61) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL3721040 0.83 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
Hydrochloric Acid SCHEMBL28234289 0.83 ALDH1A1 (0.59) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL8744287 0.83 ALOX15 (0.59) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL14714241 0.82 TDP1 (0.57) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL395825 0.81 ALDH1A1 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL8447360 0.81 ALOX15 (0.58) ALDH1A1TDP1CYP3A4ALOX15TSHR

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-2850086-B1 HETEROARYLCYANINE DYES PACIFIC BIOSCIENCES CALIFORNIA INC (US) 2023-07-05 EP disclosed
US-7700375-B2 Fluorescent labeling of specific protein targets in vitro and in vivo VALORISATION-RECHERCHE, LP (CA) 2010-04-20 US disclosed
US-6627377-B1 Soluble in organic solvents, which excels in adhesiveness, heat resistance, mechanical properties and flexibility, which shows properties of alkali-soluble highly sensitive positive-type photoresist PI R&D CO., LTD. (JP) 2003-09-30 US disclosed
EP-1024407-A1 POSITIVE PHOTOSENSITIVE POLYIMIDE COMPOSITION PI R & D Co Ltd (JP) 2000-08-02 EP disclosed