SCHEMBL9630561

SCHEMBL9630561

CCCC(CC)C(O)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2D6 P10635 3/20 0.42
KCNH2 Q12809 2/20 0.42
NPC1 O15118 1/20 0.41
CFTR P13569 1/20 0.41
GOPC Q9HD26 1/20 0.41
GRM2 Q14416 1/20 0.40
CYP17A1 P05093 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TBXAS1 P24557 1/20 0.38
AOC3 Q16853 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
SCHEMBL14078043 0.93 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL14387788 0.90 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL28994745 0.88 LMNA (0.47) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL20779411 0.82 L3MBTL1 (0.43) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL9830214 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL906187 0.80 SMN1; SMN2 (0.53) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL7914382 0.79 AOC3 (0.58) LMNASLC6A2SLC6A4SLC6A3CYP3A4
SCHEMBL15675981 0.77 SMN1; SMN2 (0.50) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL18947499 0.76 CFTR (0.46) SMN1; SMN2LMNAL3MBTL1GAASLC6A2
SCHEMBL1579049 0.75 LMNA (0.57) SMN1; SMN2LMNAL3MBTL1GAASLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316783-B1 PROCESS FOR THE PREPARATION OF HETERO-AROMATIC KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
EP-0356843-A2 Process for the preparation of heteroaromatic aldehydes and ketones BASF Aktiengesellschaft (DE) 1990-03-07 EP disclosed
EP-0316783-A1 Process for the preparation of hetero-aromatic ketones and aldehydes BASF Aktiengesellschaft (DE) 1989-05-24 EP disclosed