SCHEMBL8400813

SCHEMBL8400813

ClN1N=C(N2CCOCC2)C=C(N2CCNCC2)N1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.36
▸ HTR3E A5X5Y0 3/20 0.33
▸ HTR3B O95264 3/20 0.33
▸ HTR3A P46098 3/20 0.33
▸ HTR3D Q70Z44 3/20 0.33
▸ HTR3C Q8WXA8 3/20 0.33
▸ ADRB2 P07550 2/20 0.33
▸ ADRB1 P08588 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ BPTF Q12830 1/20 0.33
▸ NCF1 P14598 1/20 0.33
▸ PLD1 Q13393 1/20 0.33
▸ PIK3CA P42336 3/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3R1 P27986 1/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32

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
SCHEMBL1434515 0.77 MAPT (0.34) POLB
SCHEMBL21423998 0.66 BPTF (0.62) POLBBPTFALDH1A1
SCHEMBL7082120 0.65 ADRB1 (0.63) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL912707 0.65 POLB (0.35) POLBALDH1A1
SCHEMBL778162 0.63 HRH1 (0.65) POLBPIK3CAPIK3CDPIK3R1PIK3CB
Hydrochloric Acid SCHEMBL28769210 0.63 ADRB1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL778143 0.63 HRH1 (0.65) POLBPIK3CAPIK3CDPIK3R1PIK3CB
Bromide SCHEMBL6539744 0.63 ADRB1 (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4462897 0.62 CYP2C19 (0.58) ADRB1PLD1PIK3CBALDH1A1PIM1
SCHEMBL9483647 0.62 KDM4E (0.34) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5948837-A MIXTURE OF ORGANONITROGEN COMPOUND, PHOSPHOROUS PENTAOXIDE AND WATER MONTELL NORTH AMERICA INC. (US) 1999-09-07 — — US disclosed
EP-0849260-A1 Process for the production of flame retarding additives for polymer compositions, and products thereof Montell North America Inc. (US) 1998-06-24 — — EP disclosed
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