SCHEMBL8700324

SCHEMBL8700324

O=[N+]([O-])c1cccc(Oc2c(F)cc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GPR17 Q13304 1/20 0.40
EPAS1 Q99814 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 1/20 0.39
PPOX P50336 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
P2RX1 P51575 1/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.38
TXNRD1 Q16881 1/20 0.38
TXNRD3 Q86VQ6 1/20 0.38
TXNRD2 Q9NNW7 1/20 0.38
LMNA P02545 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
SCHEMBL11039095 0.86 HSPB1 (0.48) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL9134954 0.81 TDP1 (0.50) TDP1ALDH1A1EPAS1MEN1KMT2A
SCHEMBL8693593 0.81 MEN1 (0.50) TDP1ALDH1A1EPAS1MEN1KMT2A
SCHEMBL9332004 0.81 TDP1 (0.45) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL4496102 0.79 RAB9A (0.41) ALDH1A1MAPT
SCHEMBL10830718 0.79 ALDH1A1 (0.38) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL8152290 0.79 MAPT (0.48) ALDH1A1GPR17MEN1KMT2ATSHR
SCHEMBL9199456 0.79 MEN1 (0.50) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL9331767 0.79 TDP1 (0.47) TDP1ALDH1A1MEN1KMT2ATTR
SCHEMBL8693586 0.79 MEN1 (0.47) TDP1ALDH1A1MEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5763615-A Methods for the preparation of benzyloxy benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5686617-A RING CLOSURE, HYDROGENATION, ETHERIFICATION AMERICAN CYANAMID COMPANY (US) 1997-11-11 US disclosed
US-5484762-A Aryloxy-n-(substituted phenyl) benzotriazole herbicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-16 US disclosed
US-5428003-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1995-06-27 US disclosed
US-5324711-A Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1994-06-28 US disclosed
EP-0367242-A2 Aryloxy benzotriazole herbicidal agents and methods for the preparation thereof AMERICAN CYANAMID COMPANY (US) 1990-05-09 EP disclosed
EP-0355049-A2 Heterocyclic compounds ZENECA LIMITED (GB) 1990-02-21 EP disclosed