SCHEMBL6522396

SCHEMBL6522396

CCOC(=O)C(C#N)c1ccccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
GAA P10253 1/20 0.56
MMP8 P22894 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PIN1 Q13526 1/20 0.40
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
MMP13 P45452 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL19464224 0.88 KMT2A (0.53) SMN1; SMN2MEN1KMT2AGAAL3MBTL1
SCHEMBL9587397 0.87 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AGAAL3MBTL1
SCHEMBL1366941 0.86 KMT2A (0.48) SMN1; SMN2MEN1KMT2AGAANPC1
SCHEMBL17843998 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAAMMP8
SCHEMBL4579109 0.84 GAA (0.58) SMN1; SMN2MEN1KMT2AGAAMMP8
SCHEMBL1274082 0.84 KMT2A (0.43) SMN1; SMN2MEN1KMT2AGAAALDH1A1
SCHEMBL30168361 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2AGAAMMP8
SCHEMBL5568981 0.83 SMN1; SMN2 (0.57) SMN1; SMN2MEN1KMT2AGAAMMP8
SCHEMBL22904394 0.82 KMT2A (0.45) SMN1; SMN2MEN1KMT2AGAAL3MBTL1
SCHEMBL7465410 0.82 MEN1 (0.56) SMN1; SMN2MEN1KMT2AGAAL3MBTL1

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-8795884-B2 Nonaqueous secondary battery and electronic device HITACHI MAXELL, LTD. (JP) 2014-08-05 US disclosed
US-20110052980-A1 NONAQUEOUS SECONDARY BATTERY AND ELECTRONIC DEVICE MAXELL, LTD. (JP) 2011-03-03 US disclosed