SCHEMBL13486015

SCHEMBL13486015

CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(N(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 4/20 0.59
▸ DNM1 Q05193 9/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ KDM4E B2RXH2 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ EGFR P00533 9/20 0.55
▸ POLB P06746 2/20 0.55
▸ MCL1 Q07820 1/20 0.55
▸ CTDSP1 Q9GZU7 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ APOBEC3A P31941 1/20 0.53
▸ APOBEC3G Q9HC16 1/20 0.53
▸ MEN1 O00255 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ ALOX12 P18054 1/20 0.51
▸ NFKB1 P19838 1/20 0.51

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
SCHEMBL3198404 0.90 ESRRA (0.59) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL3198392 0.90 ESRRA (0.59) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL14640325 0.81 DNM1 (0.48) ALDH1A1HPGDDNM1KDM4EEGFR
SCHEMBL10641674 0.79 SMN1; SMN2 (0.69) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL8647197 0.79 ALDH1A1 (0.64) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL17810121 0.77 EGFR (0.88) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL15145156 0.76 SMN1; SMN2 (0.70) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL11432961 0.74 SMN1; SMN2 (0.71) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL11432956 0.74 SMN1; SMN2 (0.71) ALDH1A1HPGDDNM1SMN1; SMN2KDM4E
SCHEMBL6747879 0.72 DNM1 (0.76) ALDH1A1HPGDDNM1KDM4ELMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946129-B2 Mass labels ELECTROPHORETICS LIMITED (GB) 2015-02-03 — — US disclosed
US-20100029495-A1 Mass labels ELECTROPHORETICS LIMITED (GB) 2010-02-04 — — US disclosed
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