SCHEMBL10885158

SCHEMBL10885158

O=c1nn[nH]c2ccc(Cl)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CHEK1 O14757 2/20 0.41
PARP1 P09874 2/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 1/20 0.40
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL10883616 0.85 DAO (0.47) LMNAHPGDGRIN2DGRIN3BGRIN1
SCHEMBL874076 0.78 ALDH1A1 (0.44) LMNAHPGDCHEK1PARP1MEN1
SCHEMBL874687 0.78 KDM4E (0.42) LMNAGAAHPGDPARP1KDM4E
SCHEMBL10879458 0.73 MAPT (0.52) LMNAHPGDPARP1CA12CA9
SCHEMBL203784 0.72 F7 (0.48) GAAHPGDGRIN2DGRIN3BGRIN1
SCHEMBL547904 0.72 CYP1A2 (0.46) LMNACYP1A2GAAHPGDGRIN2D
SCHEMBL30918933 0.72 LMNA (0.53) LMNACYP1A2GAAHPGDGRIN2D
SCHEMBL11474182 0.71 LMNA (0.45) LMNACYP1A2GAAHPGDGRIN2D
Hydrochloric Acid SCHEMBL29618028 0.71 F7 (0.47) HPGDGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1150908 0.71 F7 (0.47) HPGDGRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0196617-A1 [4.2.0]bicyclooctane derivatives, process for their preparation and pharmaceutical compositions containing same SYNTEX (U.S.A.) INC. (US) 1986-10-08 EP disclosed
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