SCHEMBL7684070

SCHEMBL7684070

O=[N+]([O-])c1ccc(OCc2ccc(Cl)nc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PTGES O14684 3/20 0.46
TERT O14746 5/20 0.45
ATM Q13315 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PIN1 Q13526 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
SCHEMBL9114209 0.84 MAOB (0.56) PTGESATMTDP1MAOAMAOB
SCHEMBL1578696 0.81 ATM (0.56) ALDH1A1PTGESATMTDP1MAOA
SCHEMBL30792379 0.80 MAOB (0.51) NPC1RAB9AALDH1A1PTGESATM
SCHEMBL7900848 0.80 RAB9A (0.51) NPC1RAB9AALDH1A1PTGESATM
SCHEMBL572373 0.79 PTGES (0.55) NPC1RAB9APTGESATMTDP1
SCHEMBL519418 0.79 PTGES (0.61) NPC1RAB9APTGESATMTDP1
SCHEMBL29463874 0.79 PTGES (0.61) NPC1RAB9APTGESATMTDP1
SCHEMBL11238714 0.79 MAPT (0.58) NPC1RAB9AALDH1A1TERTMAOB
SCHEMBL4341126 0.78 PTGES (0.61) PTGESMAOAMAOB
SCHEMBL7677809 0.78 NPC1 (0.48) NPC1RAB9AALDH1A1TERTMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6448203-B1 CROP PROTECTION AGENTS, IN PARTICULAR AS HERBICIDES AND INSECTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-10 US disclosed
CN-1289330-A Substituted heteroarylmethyl compounds used as herbicides BAYER AG (DE) 2001-03-28 CN disclosed
EP-1051414-A1 SUBSTITUTED HETEROARYLMETHYL COMPOUNDS USED AS HERBICIDES Bayer Aktiengesellschaft (DE) 2000-11-15 EP disclosed
CN-1259943-A Substituted aryluracils BAYER AG (DE) 2000-07-12 CN disclosed
EP-0973765-A1 SUBSTITUTED ARYLURACILS BAYER AG (DE) 2000-01-26 EP disclosed
WO-1999038861-A1 SUBSTITUTED HETEROARYLMETHYL COMPOUNDS USED AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 WO disclosed
WO-1999001440-A1 SUBSTITUTED ARYLURACIL HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1999-01-14 WO disclosed
WO-1998046592-A1 SUBSTITUTED ARYLURACILS BAYER AKTIENGESELLSCHAFT (DE) 1998-10-22 WO disclosed