SCHEMBL8205960

SCHEMBL8205960

COc1ccc([N+](=O)[O-])c(C)c1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.53
ALDH1A1 P00352 5/20 0.53
TSHR P16473 5/20 0.50
KDM4E B2RXH2 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
PRKDC P78527 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.43
ALOX12 P18054 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43

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
SCHEMBL15018462 0.87 ALDH1A1 (0.52) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL4466194 0.86 ALDH1A1 (0.55) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL31077739 0.86 ALDH1A1 (0.55) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL11798976 0.84 ALDH1A1 (0.57) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL11983744 0.83 ALDH1A1 (0.52) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL28034520 0.82 TDP1 (0.51) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL633461 0.81 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL9072461 0.81 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8349793 0.81 ALDH1A1 (0.50) TDP1ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL8548365 0.81 TDP1 (0.50) TDP1ALDH1A1TSHRKDM4EL3MBTL1

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
EP-3245557-A1 ELECTROCHROMIC MULTI-LAYER DEVICES WITH CHARGE SEQUESTRATION AND RELATED METHODS Kinestral Technologies, Inc. (US) 2017-11-22 EP disclosed
US-6110952-A PREVENTING OR TREATING NASAL CONGESTION, OTITIS MEDIA AND SINUSITIS WITHOUT UNDESIRED SIDE EFFECTS, ALSO ASTHMA, PAIN, MIGRAINE, SUBSTANCE ABUSE AND ADDICTION, GASTROINTESTINAL DISORDER, ULCER, STOMACH HYPERACIDITY THE PROCTER & GAMBLE COMPANY (US) 2000-08-29 US disclosed
EP-0944622-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-09-29 EP disclosed
WO-1998023611-A1 2-IMIDAZOLINYLAMINOBENZOXAZOLE COMPOUNDS USEFUL AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1998-06-04 WO disclosed
US-4233463-A Process for the separation of 2,4-dinitro-6-t-butyl-3-methylanisole, referred to as musk ambrette, from the crude synthesis mixtures in which it is present SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1980-11-11 US disclosed