SCHEMBL17319230

SCHEMBL17319230

CC1CC(C)CN(C(=O)c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.67
PLA2G1B P04054 1/20 0.61
ATG4B Q9Y4P1 1/20 0.61
ALDH1A1 P00352 1/20 0.60
KMT2A Q03164 2/20 0.58
HPGD P15428 2/20 0.58
MEN1 O00255 1/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.54
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD11B1 P28845 1/20 0.50
EPHX2 P34913 2/20 0.49
MGLL Q99685 1/20 0.49
TEAD1 P28347 1/20 0.47
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL10722464 0.87 GAA (0.79) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL14314807 0.86 GAA (0.64) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL3461823 0.86 GAA (0.64) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL16509641 0.82 RECQL (0.70) GAAALDH1A1KMT2AHPGDMEN1
SCHEMBL14236894 0.82 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL8280316 0.81 GAA (0.69) GAAALDH1A1KMT2AHPGDMEN1
SCHEMBL279948 0.80 GAA (0.70) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL17898048 0.80 MEN1 (0.52) GAAALDH1A1KMT2AHPGDMEN1
SCHEMBL3453484 0.79 GAA (0.68) GAAPLA2G1BATG4BALDH1A1KMT2A
SCHEMBL6276561 0.79 HPGD (0.54) GAAKMT2AHPGDMEN1TSHR

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
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed
US-9206125-B2 Use of compound binding to mSin3B that specifically binds to neuron restrictive silencer factor (NRSF) PUBLIC UNIVERSITY CORPORATION YOKOHAMA CITY UNIVERSITY (JP) 2015-12-08 US disclosed