SCHEMBL28047682

SCHEMBL28047682

N#CCCC(O)CNc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
DNM1 Q05193 2/20 0.46
PTGER1 P34995 1/20 0.40
PTGFR P43088 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
BCHE P06276 1/20 0.40
LMNA P02545 1/20 0.40
USP2 O75604 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 3/20 0.37
ABCB1 P08183 2/20 0.36
POLB P06746 1/20 0.36
KDM1A O60341 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
SCHEMBL7277860 0.79 MAPT (0.68) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL10500366 0.78 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL7346554 0.78 MAPT (0.58) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL12942805 0.77 MAPT (0.56) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL7346548 0.77 MAPT (0.56) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL1291693 0.77 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL28335665 0.75 MAPT (0.59) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL17894138 0.74 MAPT (0.57) MAPTSMN1; SMN2HTTDNM1PTGER1
SCHEMBL8369004 0.74 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL411945 0.74 MAPT (0.61) MAPTSMN1; SMN2HTTDNM1KDM4E

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
CN-105111101-A Method for preparing N-cyanoethyl-N-ethoxylaniline by using ionic liquid HIGH & NEW TECHNOLOGY RES CT HENAN ACADEMY SCIENCE 2015-12-02 CN disclosed