SCHEMBL13257828

SCHEMBL13257828

CC(CCc1ccco1)NC(=O)c1cccc(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
USP2 O75604 2/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
GPR139 Q6DWJ6 1/20 0.47
POLB P06746 6/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
PABPC1 P11940 1/20 0.42
ALOX15 P16050 1/20 0.42
APEX1 P27695 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
SCHEMBL13257668 0.83 ALDH1A1 (0.57) ALDH1A1USP2TSHRMAPK1NPC1
SCHEMBL13257646 0.81 HPGD (0.69) ALDH1A1GPR139POLBKMT2AHPGD
SCHEMBL13257659 0.81 HPGD (0.69) ALDH1A1GPR139POLBKMT2AHPGD
SCHEMBL13257696 0.80 POLB (0.63) ALDH1A1USP2TSHRMAPK1NPC1
SCHEMBL13257859 0.78 ALDH1A1 (0.56) ALDH1A1USP2TSHRMAPK1NPC1
SCHEMBL24567732 0.78 ACACB (0.60) ALDH1A1MAPK1RAB9AGPR139KMT2A
SCHEMBL13753578 0.78 GPR139 (0.56) ALDH1A1GPR139KMT2AHPGDSMN1; SMN2
SCHEMBL22151161 0.77 GPR139 (0.55) ALDH1A1GPR139KMT2AHPGDSMN1; SMN2
SCHEMBL13257616 0.77 ALDH1A1 (0.54) ALDH1A1GPR139KMT2AHPGDMAPT
SCHEMBL13257645 0.76 ALDH1A1 (0.50) ALDH1A1USP2TSHRMAPK1NPC1

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
WO-2010088450-A2 METHODS FOR TREATING DISEASES ASSOCIATED WITH THE MODULATION OF SERCA CELLADON CORPORATION (US) 2010-08-05 WO disclosed