SCHEMBL8042876

SCHEMBL8042876

Fc1ccc(CN2CCc3c2ccnc3Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
HTT P42858 2/20 0.43
NCOA3 Q9Y6Q9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.38
ALOX5 P09917 4/20 0.38
HTR6 P50406 3/20 0.38
EPHX2 P34913 3/20 0.38
AKR1B1 P15121 1/20 0.37
MAPK1 P28482 1/20 0.36
CLPP Q16740 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36

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
SCHEMBL17224570 0.77 L3MBTL1 (0.43) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL957751 0.74 LMNA (0.48) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL15958975 0.69 FABP4 (0.51) ALDH1A1LMNASMN1; SMN2L3MBTL1HTT
SCHEMBL23432271 0.68 ADRA2A (0.33)
SCHEMBL5864048 0.67 DHPS (0.58) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL28801601 0.66 ALDH1A1 (0.61) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL1761246 0.66 ALDH1A1 (0.41) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL31749760 0.65 IDH1 (0.52) ALDH1A1POLBLMNASMN1; SMN2L3MBTL1
SCHEMBL32689537 0.64 LTA4H (0.47) ALDH1A1POLBLMNAHTTKDM4E
SCHEMBL5780419 0.64 ALOX5 (0.55) ALDH1A1POLBRAB9AALOX5EPHX2

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-2009073777-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2009-06-11 WO disclosed