SCHEMBL9374927

SCHEMBL9374927

O=c1c(Cl)c(OCc2ccc(Cl)cc2)cnn1CCCBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.40
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 3/20 0.36
▸ MITF O75030 2/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ NPBWR1 P48145 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL9377866 0.88 ALDH1A1 (0.39) MAPK14MAOAMAOBHTR2AHTR2C
SCHEMBL18672227 0.83 MAPK14 (0.38) MAPK14ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19313567 0.81 HTT (0.39) MAPK14ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL20170593 0.80 ALDH1A1 (0.38) MAPK14ALDH1A1SMN1; SMN2HTT
SCHEMBL19313466 0.79 NR2E3 (0.40) MAPK14ALDH1A1SMN1; SMN2MAPTKDM4E
SCHEMBL18672225 0.79 HTT (0.37) MAPK14ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL18672244 0.79 HTT (0.37) MAPK14ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19356577 0.78 MAPK14 (0.38) MAPK14ALDH1A1SMN1; SMN2HTT
SCHEMBL9663956 0.76 RAB9A (0.53) MAPK14MAOAMAOBALDH1A1SMN1; SMN2
SCHEMBL18672242 0.75 NR2E3 (0.35) MAPK14ALDH1A1SMN1; SMN2MAPTHTT

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-0302346-B1 Pyridazinone derivatives and compositions for controlling and/or preventing insect pests NISSAN CHEMICAL IND LTD (JP) 1994-12-28 — — EP disclosed
US-4945091-A INSECTICIDES, ACARACIDES, NEMATOCIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1990-07-31 — — US disclosed
EP-0302346-A2 Pyridazinone derivatives and compositions for controlling and/or preventing insect pests NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-02-08 — — EP disclosed
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