SCHEMBL9688631

SCHEMBL9688631

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR2A P28223 1/20 0.43
KMT2A Q03164 2/20 0.42
AOC3 Q16853 2/20 0.42
MEN1 O00255 1/20 0.42
HTR1A P08908 1/20 0.42
HTR6 P50406 2/20 0.40
ACHE P22303 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NQO2 P16083 2/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
MAPT P10636 1/20 0.38
RAD52 P43351 1/20 0.38
RECQL P46063 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
SCHEMBL9689630 0.84 KDM4E (0.40) POLBTDP1KDM4ECTDSP1L3MBTL1
SCHEMBL4361623 0.79 TDP1 (0.53) TDP1HTR2AKMT2AAOC3MEN1
SCHEMBL29396391 0.77 TDP1 (0.62) POLBTDP1KDM4ECTDSP1L3MBTL1
SCHEMBL1179747 0.77 TDP1 (0.62) POLBTDP1KDM4ECTDSP1L3MBTL1
SCHEMBL3720206 0.73 SMN1; SMN2 (0.60) AOC3HTR1AMAPTBLMALDH1A1
SCHEMBL14494983 0.71 POLB (0.45) POLBTDP1KDM4ECTDSP1L3MBTL1
SCHEMBL11258430 0.71 TDP1 (0.45) POLBTDP1KDM4ECTDSP1L3MBTL1
SCHEMBL30988797 0.71 ALDH1A1 (0.41) POLBTDP1KDM4EL3MBTL1HTR2A
SCHEMBL9688670 0.70 AOC3 (0.50) HTR2AAOC3HTR1AHTR6ACHE
SCHEMBL10850512 0.70 ALDH1A1 (0.39) POLBTDP1KDM4EHTR2AHTR1A

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-0189473-B1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1992-05-27 EP disclosed
US-4958026-A HYPOTENSIVE AGENTS SCHERING AKTIENGESLLSCHAFT (DE) 1990-09-18 US disclosed
EP-0189473-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS. SCHERING AG (DE) 1986-08-06 EP disclosed
WO-1986001204-A1 NEW DOPAMINE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE AS MEDICINAL PRODUCTS SCHERING AKTIENGESELLSCHAFT (DE) 1986-02-27 WO disclosed