SCHEMBL6235020

SCHEMBL6235020

N#CN1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
AR P10275 14/20 0.47
SIRT6 Q8N6T7 1/20 0.41
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
RXRA P19793 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6240445 0.84 NOTUM (0.49) NOTUMTP53MAPTCYP1A2CYP3A4
SCHEMBL6233708 0.84 USP30 (0.44) ARSIRT6KDM4ETP53MAPT
SCHEMBL6238899 0.79 NOTUM (0.55) NOTUMARKDM4E
SCHEMBL11453106 0.76 NOTUM (0.51) NOTUMARSIRT6RXRAGRIN1
SCHEMBL2928855 0.76 HTR3E (0.55) NOTUMARTP53MAPTCYP1A2
SCHEMBL6237643 0.76 CA2 (0.51) NOTUMKDM4ETP53CYP3A4
Hydrochloric Acid SCHEMBL2276790 0.75 THRB (0.56) NOTUMARTP53MAPTCYP1A2
SCHEMBL5375116 0.75 NOTUM (0.60) NOTUMARSIRT6SMN1; SMN2
SCHEMBL3712914 0.74 ALDH1A1 (0.60) TP53MAPTCYP1A2CYP3A4CYP2C19
SCHEMBL2928767 0.74 DRD2 (0.50) NOTUMARSIRT6KDM4ESMN1; SMN2

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-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO claimed
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed