SCHEMBL14625311

SCHEMBL14625311

C#CC1(NC(=O)c2sccc2OCc2ccc(N)cc2)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.49
KMT2A Q03164 7/20 0.49
ALDH1A1 P00352 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
CYP3A4 P08684 2/20 0.44
GAA P10253 5/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
HTT P42858 1/20 0.41
INPPL1 O15357 1/20 0.40
RAB9A P51151 1/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.38
PTPRC P08575 1/20 0.37
PTPN1 P18031 1/20 0.37

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
SCHEMBL4107830 0.90 KMT2A (0.60) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4101718 0.90 MEN1 (0.52) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL14625102 0.88 ALDH1A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4100116 0.88 ALDH1A1 (0.45) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4103824 0.88 MEN1 (0.44) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13964537 0.87 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL14625098 0.85 KMT2A (0.40) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4097043 0.83 KMT2A (0.50) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4106762 0.82 GPR132 (0.45) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL13965247 0.82 ALDH1A1 (0.46) MEN1KMT2AALDH1A1L3MBTL1SMN1; 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
WO-2007001225-A1 THIOPHENE-2-CARBOXAMIDE DERIVATIVES AS ALPHA 7 NICOTINIC RECEPTOR MODULATORS. ASTRAZENECA (SE) 2007-01-04 WO disclosed