SCHEMBL10883255

SCHEMBL10883255

O=c1nn[nH]c2cc(F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
MAP2K4 P45985 10/20 0.45
MAPK1 P28482 2/20 0.42
MAPK6 Q16659 2/20 0.42
KDM4E B2RXH2 1/20 0.41
MAP2K7 O14733 1/20 0.41
FEN1 P39748 1/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
ITK Q08881 1/20 0.38
HTR2A P28223 2/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
MAPKAPK3 Q16644 1/20 0.37

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
SCHEMBL874687 0.85 KDM4E (0.42) DAOKDM4EFEN1LMNAHPGD
SCHEMBL10987571 0.78 JAK2 (0.50)
SCHEMBL10883616 0.78 DAO (0.47) DAOMAP2K4MAPK1KDM4ELMNA
SCHEMBL874382 0.74 KIF11 (0.48) KDM4E
SCHEMBL12320106 0.72 ALPL (0.42) DAOMAP2K4KDM4E
SCHEMBL547904 0.72 CYP1A2 (0.46) MAP2K4KDM4ELMNAHPGDALDH1A1
SCHEMBL929511 0.70 DAO (0.47) DAOMAP2K4MAPK1MAPK6KDM4E
SCHEMBL29798728 0.70 PARP1 (0.50) DAOKDM4EFEN1HTR2A
SCHEMBL30089426 0.70 DAO (0.43) DAOMAP2K4KDM4ELMNAALDH1A1
SCHEMBL10639617 0.70 PDE3B (0.44) KDM4ELMNAHPGDALDH1A1

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-0108352-B1 3-(3-IODOPROPARGYL)-BENZO-1,2,3-TRIAZIN-4-ONES, PROCESS FOR THEIR PREPARATION AND THEIR APPLICATION AS MICROBICIDES BAYER AG (DE) 1986-04-02 EP disclosed
US-4520023-A FUNGICIDES, BACTERICIDES, ALGICIDES, SLIMICIDES BAYER AKTIENGESELLSCHAFT (DE) 1985-05-28 US disclosed
EP-0108352-A2 3-(3-Iodopropargyl)-benzo-1,2,3-triazin-4-ones, process for their preparation and their application as microbicides BAYER AG (DE) 1984-05-16 EP disclosed