SCHEMBL14922679

SCHEMBL14922679

CC[C@H]1CCCN1CC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
MAPK1 P28482 1/20 0.35
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 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
SCHEMBL28283697 1.00 ATM (0.40) ATMMAPK1KMT2AALDH1A1MEN1
SCHEMBL21993489 0.94 ATM (0.45) ATMMAPK1KMT2AALDH1A1MEN1
SCHEMBL12966705 0.82 ATM (0.43) ATMMAPK1KMT2AALDH1A1MEN1
SCHEMBL12788429 0.82 ATM (0.43) ATMMAPK1KMT2AALDH1A1MEN1
SCHEMBL17618091 0.82 ATM (0.43) ATMMAPK1KMT2AALDH1A1MEN1
SCHEMBL20569702 0.80 POLB (0.42) KMT2AALDH1A1MEN1L3MBTL1
SCHEMBL14509655 0.80 HTT (0.35)
SCHEMBL24359063 0.79 HDAC8 (0.41) HRH3
SCHEMBL12621131 0.79 HRH3 (0.35) HRH3L3MBTL1
SCHEMBL25540249 0.79 HDAC8 (0.41) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436011-B2 Pyridinopyridinone derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2013-05-07 US disclosed