SCHEMBL6515577

SCHEMBL6515577

Cc1cccc(C2=NCCO2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
TAAR1 Q96RJ0 1/20 0.40
CNR2 P34972 1/20 0.39
NUDT1 P36639 3/20 0.36
NISCH Q9Y2I1 1/20 0.35
HTR2C P28335 1/20 0.35
HDAC8 Q9BY41 1/20 0.34
CFB P00751 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
KCNN4 O15554 1/20 0.33
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
TRPA1 O75762 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1842317 0.85 SMN1; SMN2 (0.48) SMN1; SMN2TAAR1CNR2NISCHCFB
SCHEMBL25193298 0.83 SMN1; SMN2 (0.40) SMN1; SMN2TAAR1NISCHHDAC8CFB
SCHEMBL21880888 0.83 SMN1; SMN2 (0.40) SMN1; SMN2TAAR1NUDT1NISCHHDAC8
Bromide SCHEMBL5635020 0.82 SMN1; SMN2 (0.46) SMN1; SMN2TAAR1CNR2NISCHCFB
SCHEMBL5635021 0.79 SMN1; SMN2 (0.43) SMN1; SMN2TAAR1CNR2NISCHCFB
SCHEMBL29420719 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2CKCNN4
SCHEMBL218213 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ADRA2AADRA2BADRA2CKCNN4
SCHEMBL381604 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ADRA2AADRA2BADRA2CKCNN4
SCHEMBL10424020 0.75 NISCH (0.42) SMN1; SMN2CNR2NISCHNPC1CASP3
SCHEMBL9863065 0.74 ESR1 (0.40) SMN1; SMN2ADRA2A

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-20050142413-A1 Separator for fuel cell, method for producing the same, and fuel cell using the same SANSHO KAKOU CO., LTD. (JP) 2005-06-30 US disclosed