SCHEMBL9509856

SCHEMBL9509856

CC1CCC2CCCCC2N1C(=O)C(Cl)Cl

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
DPP4 P27487 1/20 0.36
RECQL P46063 1/20 0.36
PREP P48147 2/20 0.33
PHGDH O43175 1/20 0.32
ACE P12821 2/20 0.32
HSD11B1 P28845 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DPP7 Q9UHL4 1/20 0.31

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
SCHEMBL11743297 0.81 MEN1 (0.50) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11618812 0.78 MEN1 (0.46) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11750954 0.75 KMT2A (0.48) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11750199 0.74 MEN1 (0.45) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11750968 0.72 MEN1 (0.44) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL14592916 0.71 MEN1 (0.39) MEN1KMT2ADPP4PREPACE
SCHEMBL11750206 0.71 MEN1 (0.42) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11749105 0.71 KMT2A (0.45) MEN1KMT2APSEN1PSEN2APH1B
SCHEMBL11282748 0.70 DPP7 (0.46) DPP4PREPHSD11B1DPP7
SCHEMBL11747201 0.69 KMT2A (0.43) MEN1KMT2APSEN1PSEN2APH1B

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-0230871-B1 HALOACYL 1-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINES AS HERBICIDE ANTIDOTES Monsanto Company (US) 1993-09-22 EP disclosed
US-4846880-A 2-(Dichloroacetyl)-3-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes MONSANTO COMPANY (US) 1989-07-11 US disclosed
US-4755218-A Reducing acetochlor injury to corn by applying with antidote MONSANTO COMPANY (US) 1988-07-05 US disclosed
EP-0230871-A2 Haloacyl 1-substituted-1,2,3,4-tetrahydroisoquinolines as herbicide antidotes Monsanto Company (US) 1987-08-05 EP disclosed