SCHEMBL9275347

SCHEMBL9275347

O=C(COc1ccccc1Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.72
RAB9A P51151 1/20 0.68
KMT2A Q03164 4/20 0.63
HPGD P15428 1/20 0.63
MAPT P10636 1/20 0.57
NPY1R P25929 1/20 0.56
NPY2R P49146 1/20 0.56
NPSR1 Q6W5P4 3/20 0.56
ALDH1A1 P00352 4/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.55
NOTUM Q6P988 1/20 0.54
MEN1 O00255 2/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL6635632 0.87 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AHPGDNPY1R
SCHEMBL24590651 0.84 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKMT2AHPGDNPSR1
SCHEMBL29956005 0.81 SMN1; SMN2 (0.66) SMN1; SMN2RAB9AKMT2AHPGDMAPT
SCHEMBL4576519 0.81 L3MBTL1 (0.63) SMN1; SMN2HPGDALDH1A1LMNA
SCHEMBL22209067 0.80 HTT (0.60) SMN1; SMN2HPGDHTTLMNA
SCHEMBL9271748 0.79 KMT2A (0.82) SMN1; SMN2KMT2AHPGDNPSR1ALDH1A1
SCHEMBL8714203 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HPGDHTTLMNA
SCHEMBL5272168 0.78 KMT2A (1.00) SMN1; SMN2RAB9AKMT2AHPGDNPSR1
SCHEMBL9263271 0.77 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AKMT2AHPGDNPSR1
SCHEMBL9871210 0.74 RAB9A (0.69) SMN1; SMN2RAB9AKMT2AHPGDMAPT

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-1995029155-A1 NOVEL ANTITUMOUR COMPOUNDS WITH ANTIMITOTIC ACTIVITY PHARMACIA AB (SE) 1995-11-02 WO disclosed