SCHEMBL7251833

SCHEMBL7251833

O=[N+]([O-])c1cccc2c(Br)coc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ALDH1A1 P00352 5/20 0.46
MAPT P10636 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
NOS1 P29475 1/20 0.44
CYP2C19 P33261 1/20 0.44
NOS2 P35228 1/20 0.44
BLM P54132 1/20 0.44
CTSB P07858 1/20 0.42
GPR35 Q9HC97 2/20 0.42
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.39

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
SCHEMBL3274689 0.79 TDP1 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28477789 0.76 TDP1 (0.47) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL23310255 0.75 TDP1 (0.43) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29952203 0.73 PTPN1 (0.55) TDP1ALDH1A1MEN1KMT2AGPR35
SCHEMBL25824617 0.73 LOXL2 (0.36) PARP1
SCHEMBL31290996 0.72 GPR35 (0.52) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL6581379 0.72 KMT2A (0.60) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL29643206 0.72 TDP1 (0.75) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2963038 0.72 TDP1 (0.75) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL7831575 0.70 TDP1 (0.48) TDP1ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6503935-B1 Treating urinary incontinence or retrograde ejaculation ABBOTT LABORATORIES 2003-01-07 US disclosed
EP-1102754-A1 IMIDAZOLES AND RELATED COMPOUNDS AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-05-30 EP disclosed
WO-2000007997-A1 IMIDAZOLES AND RELATED COMPOUNDS AS α1A AGONISTS ABBOTT LABORATORIES (US) 2000-02-17 WO disclosed