SCHEMBL6233708

SCHEMBL6233708

Cc1ccc(N2CCN(C#N)CC2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.44
SIRT6 Q8N6T7 1/20 0.43
AR P10275 4/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
PHGDH O43175 1/20 0.38
ADRB1 P08588 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 2/20 0.36
TNNI3 P19429 1/20 0.36
TNNT2 P45379 1/20 0.36
TNNC1 P63316 1/20 0.36
MAPT P10636 3/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL6235020 0.84 NOTUM (0.48) SIRT6ARSMN1; SMN2CYP1A2CYP3A4
SCHEMBL6240445 0.82 NOTUM (0.49) USP30PHGDHSMN1; SMN2MEN1KMT2A
SCHEMBL21448004 0.81 SIRT6 (0.61) SIRT6ALKBH5ADRB1SMN1; SMN2MEN1
SCHEMBL13122994 0.81 AR (0.49) SIRT6ARALKBH5ADRB1SMN1; SMN2
SCHEMBL28166708 0.80 AR (0.48) SIRT6ARALKBH5ADRB1SMN1; SMN2
SCHEMBL30822010 0.77 MAPT (0.49) SIRT6SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL12059104 0.77 MAPT (0.49) SIRT6SMN1; SMN2MEN1KMT2ACYP1A2
SCHEMBL11627069 0.77 ADRB1 (0.65) ALKBH5ADRB1MAPTHTR2CALDH1A1
SCHEMBL6237643 0.74 CA2 (0.51) USP30PHGDHCYP3A4HTR2AKDM4E
SCHEMBL3712914 0.73 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2ACYP1A2CYP3A4

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