SCHEMBL5305673

SCHEMBL5305673

CCC=Cc1cnccn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
CTH P32929 1/20 0.36
HSP90AA1 P07900 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP11B2 P19099 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5305671 1.00 RAB9A (0.46) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL29274088 0.81 RAB9A (0.47) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL3715282 0.80
SCHEMBL30481615 0.80
SCHEMBL15871027 0.79 RAB9A (0.63) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL16597642 0.79 RAB9A (0.63) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL25296107 0.79 RAB9A (0.50) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL30547500 0.79 RAB9A (0.50) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL31205897 0.79 RAB9A (0.50) RAB9AKMT2ACTHHSP90AA1CYP19A1
SCHEMBL7887292 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US claimed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO claimed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US claimed
US-10271573-B2 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2019-04-30 US disclosed
WO-2007012980-A1 TOBACCO WITH AN INCREASED LEVEL OF NATURAL TAR DILUTENTS PHILIP MORRIS PRODUCTS S.A. (CH) 2007-02-01 WO disclosed
US-20060283469-A1 Tobacco with an increased level of natural tar diluents PHILIP MORRIS USA INC. (US) 2006-12-21 US disclosed
US-4638005-A ELECTRON CARRIERS IN THE PHOTOENZYMATIC PRODUCTION OF HYDROGEN AND AMMONIA THE COCA-COLA COMPANY 1987-01-20 US disclosed