SCHEMBL8962400

SCHEMBL8962400

Nc1nc(NCCO)nc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.60
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 3/20 0.54
GLA P06280 1/20 0.54
TSHR P16473 1/20 0.53
PIK3CD O00329 1/20 0.53
PIK3CA P42336 1/20 0.53
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
POLB P06746 1/20 0.50
HTT P42858 1/20 0.49
HDAC1 Q13547 1/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL8049805 0.91 GBA1 (0.70) GBA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL14332238 0.86 GBA1 (0.65) GBA1ALDH1A1POLBLMNAMEN1
SCHEMBL7543871 0.83 TSHR (0.61) ALDH1A1TSHRHTTKDM4ELMNA
SCHEMBL30740023 0.82 HTT (0.56) ALDH1A1TSHRPIK3CDPIK3CAPIK3CB
SCHEMBL8885835 0.81 TSHR (0.69) GBA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL16015947 0.81 CTSL (0.47) GBA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3365592 0.80 CYP1A2 (0.56) GBA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30784991 0.80 KDM4E (0.54) ALDH1A1TSHRPIK3CDPIK3CAPIK3CB
SCHEMBL15836257 0.78 TSHR (0.58) GBA1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27455516 0.78 GBA1 (0.56) GBA1CYP1A2CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0451807-B1 Self-extinguishing polymeric compositions MINI RICERCA SCIENT TECNOLOG (IT) 1996-07-24 EP disclosed
EP-0453871-B1 Salts of triazine derivatives with oxygenated acids of phosphorus MINI RICERCA SCIENT TECNOLOG (IT) 1996-02-07 EP disclosed
US-5225463-A Thermoplastic polymers or elastomers with triamino-s-triazine compounds and salified with oxygenated phosphorous MINISTERO DELL'UNIVERSITA E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-07-06 US disclosed
US-5182388-A Anti-flame additives for thermoplastics MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1993-01-26 US disclosed
EP-0453871-A1 Salts of triazine derivatives with oxygenated acids of phosphorus MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-30 EP disclosed
EP-0451807-A2 Self-extinguishing polymeric compositions MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1991-10-16 EP disclosed