SCHEMBL11423946

SCHEMBL11423946

CCOC(=O)C(=Nc1cccc(C)c1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
CES2 O00748 2/20 0.51
ACHE P22303 2/20 0.51
CES1 P23141 2/20 0.51
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
CRHR1 P34998 1/20 0.44
HTR3E A5X5Y0 2/20 0.44
HTR3B O95264 2/20 0.44
HTR3A P46098 2/20 0.44
HTR3D Q70Z44 2/20 0.44
HTR3C Q8WXA8 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
CASP3 P42574 1/20 0.43

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
SCHEMBL11409704 0.86 CRHR1 (0.49) SMN1; SMN2MAPTCRHR1HTR3EHTR3B
SCHEMBL11418652 0.84 SMN1; SMN2 (0.57) SMN1; SMN2CES2ACHECES1ALDH1A1
SCHEMBL11416362 0.82 HTR3E (0.51) SMN1; SMN2MAPTCRHR1HTR3EHTR3B
SCHEMBL10967696 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL10965996 0.81 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL11418654 0.75 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTMEN1KMT2A
SCHEMBL27346857 0.74 SMN1; SMN2 (0.46) SMN1; SMN2CES2ACHECES1ALDH1A1
SCHEMBL11417709 0.74 SMN1; SMN2 (0.56) SMN1; SMN2ACHEALDH1A1MAPTMEN1
SCHEMBL11415317 0.73 SMN1; SMN2 (0.55) SMN1; SMN2CES2ACHECES1ALDH1A1
SCHEMBL11416431 0.73 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1MAPTHTR3EHTR3B

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-4230727-A N-BENZYLIDENEANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1980-10-28 US disclosed