SCHEMBL8216008

SCHEMBL8216008

CCc1c(N)ccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.54
HTT P42858 2/20 0.51
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 4/20 0.40
RECQL P46063 2/20 0.40
DUSP3 P51452 1/20 0.40
PTPN5 P54829 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH1A1 P00352 6/20 0.40
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
BLM P54132 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
SCHEMBL27489980 0.90 TDP1 (0.42) TDP1HTTPOLBKDM4ECTDSP1
Bromide SCHEMBL27462679 0.89 TDP1 (0.41) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL77335 0.84 POLB (0.46) TDP1HTTPOLBMEN1KMT2A
SCHEMBL22116212 0.83 TDP1 (0.45) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL8214283 0.81 ALDH1A1 (0.49) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL11794035 0.81 POLB (0.47) TDP1HTTPOLBMEN1KMT2A
SCHEMBL6707228 0.80 TDP1 (0.62) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL8211831 0.77 TDP1 (0.59) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL31052626 0.77 TDP1 (0.45) TDP1HTTPOLBKDM4ECTDSP1
SCHEMBL28207495 0.76 IDO1 (0.45) TDP1HTTPOLBKDM4EL3MBTL1

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
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
CN-1242015-A 2-imidazolinylaminobenzoxazole compounds useful as alpha-2 adrenoceptor agonists PROCTER & GAMBLE (US) 2000-01-19 CN 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