SCHEMBL16973643

SCHEMBL16973643

O=C(c1cnc(Cl)cn1)N1CCN(CC(F)F)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 4/20 0.46
HRH3 Q9Y5N1 3/20 0.43
PRKAB2 O43741 1/20 0.42
PRKAG1 P54619 1/20 0.42
PRKAA1 Q13131 1/20 0.42
PRKAG3 Q9UGI9 1/20 0.42
PRKAG2 Q9UGJ0 1/20 0.42
PRKAB1 Q9Y478 1/20 0.42
SIRT6 Q8N6T7 1/20 0.41
SCN9A Q15858 1/20 0.41
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL16973768 0.82 SCN7A (0.43) PRKAA2HRH3PRKAB2PRKAG1PRKAA1
SCHEMBL16973679 0.80 PRKAA2 (0.43) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL320648 0.79 SIRT6 (0.52) HRH3SIRT6MEN1KMT2ASMN1; SMN2
SCHEMBL1725086 0.79 SIRT6 (0.52) HRH3SIRT6MEN1KMT2ASMN1; SMN2
SCHEMBL424331 0.78 POLB (0.49) HRH3SIRT6KMT2ASMN1; SMN2RAB9A
SCHEMBL16973722 0.77 ACKR3 (0.51) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL1722269 0.75 SMN1; SMN2 (0.59) HRH3SIRT6SMN1; SMN2RAB9A
SCHEMBL16973837 0.74 JUN (0.40) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL24185293 0.71 SIRT6 (0.44) SIRT6SCN9AMEN1KMT2ADPP4
SCHEMBL3294698 0.71 POLB (0.55) MEN1KMT2ASMN1; SMN2RAB9A

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
WO-2015113927-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 WO disclosed
WO-2015113927-A1 AMINO-SUBSTITUTED ISOTHIAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-08-06 WO disclosed