SCHEMBL16660490

SCHEMBL16660490

Cc1nc2c(CN(C)C)c(O)ccc2n1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
ALDH1A1 P00352 6/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
GRIN2B Q13224 1/20 0.43
KMT2A Q03164 7/20 0.43
MEN1 O00255 6/20 0.43
GAA P10253 4/20 0.43
LMNA P02545 2/20 0.43
RXFP1 Q9HBX9 1/20 0.41
ERAP1 Q9NZ08 1/20 0.41
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL6652856 0.75 FGFR1 (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4574787 0.69 MEN1 (0.33) ADRB2ALDH1A1PKMMAPTKMT2A
SCHEMBL3194071 0.68 CYP1A2 (0.49) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL4664692 0.68 GAA (0.33) ADRB2ALDH1A1PKMMAPTKDM4E
SCHEMBL2233005 0.68 ADRB2 (1.00) ADRB2ALDH1A1PKMMAPTKDM4E
Bromide SCHEMBL8994861 0.67 ADRB2 (0.97) ADRB2ALDH1A1PKMMAPTKDM4E
Hydrochloric Acid SCHEMBL2535761 0.67 ADRB2 (0.97) ADRB2ALDH1A1PKMMAPTKDM4E
SCHEMBL5116642 0.66 GAA (0.43) ALDH1A1PKMMAPTKDM4EKMT2A
SCHEMBL30517750 0.64 KDM4E (0.50) ADRB2ALDH1A1PKMMAPTKDM4E
SCHEMBL2268387 0.64 OPRK1 (0.37) ALDH1A1KDM4EKMT2AGAALMNA

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
US-9018392-B1 Compounds, compositions and methods for crop enhancement Active AgriProducts Inc. (CA) 2015-04-28 US claimed
US-9018392-B1 Compounds, compositions and methods for crop enhancement Active AgriProducts Inc. (CA) 2015-04-28 US disclosed
US-9018392-B1 Compounds, compositions and methods for crop enhancement Active AgriProducts Inc. (CA) 2015-04-28 US disclosed