SCHEMBL11264604

SCHEMBL11264604

CCOC(=O)C(C#N)CCN=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
PIN1 Q13526 1/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
MMP8 P22894 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
SCHEMBL11333498 0.88 CYP1A2 (0.43) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL11262727 0.88 KMT2A (0.42) MEN1KMT2ASMN1; SMN2GAAALDH1A1
SCHEMBL11279203 0.88 ALDH1A1 (0.40) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11315580 0.87 ALDH1A1 (0.42) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL11279475 0.81 PADI1 (0.37) SMN1; SMN2GAAL3MBTL1ALDH1A1MAPT
SCHEMBL24366181 0.80 KMT2A (0.54) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL27826391 0.80 MEN1 (0.54) MEN1KMT2ANPC1SMN1; SMN2PIN1
SCHEMBL1156065 0.76 KMT2A (0.65) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL8433707 0.76 MMP8 (0.43) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL7391243 0.73 L3MBTL1 (0.56) MEN1KMT2ANPC1SMN1; SMN2GAA

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
EP-0047516-A1 Propylamine derivative and process of manufacturing the same TORAY INDUSTRIES, INC. (JP) 1982-03-17 EP disclosed