SCHEMBL13368574

SCHEMBL13368574

CCC(C)NC(=O)CN(C)C(=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
ALDH1A1 P00352 6/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BCHE P06276 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
EPHX2 P34913 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL12376720 0.86 F2 (0.57) F2ALDH1A1MEN1KMT2AHDAC1
SCHEMBL13911894 0.80 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2565715 0.78 F2 (0.51) F2ALDH1A1MEN1KMT2AHDAC1
SCHEMBL2565712 0.76 F2 (0.50) F2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12231007 0.75 TDP1 (0.62) F2ALDH1A1RAB9AMEN1KMT2A
SCHEMBL12192278 0.74 HDAC1 (0.49) F2ALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL13306912 0.74 KMT2A (0.47) F2ALDH1A1MEN1KMT2AHDAC1
SCHEMBL8526512 0.74 RAB9A (0.87) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL799431 0.74 RAB9A (0.87) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL8507346 0.74 RAB9A (0.87) ALDH1A1RAB9ASMN1; SMN2MEN1KMT2A

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-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed