SCHEMBL8463547

SCHEMBL8463547

O=[N+]([O-])c1ccc(Oc2ccccc2)cc1NCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TTR P02766 1/20 0.50
ALB P02768 1/20 0.50
THRB P10828 1/20 0.50
AKR1B10 O60218 1/20 0.46
AKR1B1 P15121 1/20 0.46
AKR1C4 P17516 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
PIN1 Q13526 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 2/20 0.43
FFAR1 O14842 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
SCHEMBL6400130 0.81 MAPT (0.50) TDP1KMT2AAKR1B10AKR1B1AKR1C4
SCHEMBL10717379 0.80 ALDH1A1 (0.55) TDP1MEN1KMT2ATTRALB
SCHEMBL11013231 0.80 MEN1 (0.51) MEN1KMT2AAKR1B10AKR1B1AKR1C4
SCHEMBL10714746 0.80 MEN1 (0.54) TDP1MEN1KMT2ATTRALB
SCHEMBL11074643 0.78 MAPT (0.53) TDP1MEN1KMT2ATTRALB
SCHEMBL11067702 0.78 HTR6 (0.57) TDP1MEN1KMT2ATTRALB
SCHEMBL8004581 0.77 XDH (0.43) AKR1B10AKR1B1AKR1C4AKR1C3AKR1C2
SCHEMBL16792668 0.76 TDP1 (0.53) TDP1MEN1KMT2ATTRALB
SCHEMBL2138411 0.76 TDP1 (0.47) TDP1MEN1KMT2ATTRALB
SCHEMBL1128959 0.76 VCAM1 (0.53) TDP1MEN1KMT2ATTRALB

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
EP-3701450-A1 DETERMINATION OF UN/FAVORABLE TIME PERIODS FOR THE APPLICATION OF PLANT PROTECTION AGENTS BASF Agro Trademarks GmbH (DE) 2020-09-02 EP disclosed
EP-0929221-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AG (DE) 1999-07-21 EP disclosed
WO-1998012923-A1 SELECTIVE HERBICIDES BASED ON ARYLSULPHONYLAMINOCARBONYLTRIAZOLINONES BAYER AKTIENGESELLSCHAFT (DE) 1998-04-02 WO disclosed