SCHEMBL3323239

SCHEMBL3323239

CC/C=C(/CC)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
GAA P10253 1/20 0.49
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 3/20 0.48
NAPRT Q6XQN6 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 2/20 0.44
EPHX1 P07099 1/20 0.44
TSHR P16473 1/20 0.44
EPHX2 P34913 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL3321948 1.00 MAPT (0.49) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL11636326 1.00 MAPT (0.49) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL1160495 0.81 NAPRT (0.52) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL1160496 0.81 NAPRT (0.52) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL10718706 0.79 NAPRT (0.46) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL10718696 0.79 NAPRT (0.46) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL20118630 0.79 F2 (0.61)
SCHEMBL2813929 0.78 ALDH1A1 (0.46) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL2809751 0.78 MAPT (0.44) MAPTGAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL2813927 0.78 ALDH1A1 (0.46) MAPTGAAALDH1A1RAB9ASMN1; SMN2

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-7732505-B2 Energy ray-curable ink composition HITACHI MAXELL, LTD. (JP) 2010-06-08 US disclosed