SCHEMBL8017733

SCHEMBL8017733

C=CCNN(NCC=C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
KCNH2 Q12809 2/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL3706530 0.83 GAA (0.41) GAACYP1A2L3MBTL1POLBALDH1A1
SCHEMBL4945883 0.79 GAA (0.42) GAACYP1A2L3MBTL1POLBALDH1A1
SCHEMBL3380443 0.79 ALDH1A1 (0.42) GAACYP1A2L3MBTL1ALDH1A1
SCHEMBL8602207 0.76 ALDH1A1 (0.37) GAACYP1A2POLBALDH1A1LMNA
SCHEMBL8602201 0.75 ALDH1A1 (0.36) GAACYP1A2L3MBTL1POLBALDH1A1
SCHEMBL4070110 0.75 ALDH1A1 (0.42) GAACYP1A2L3MBTL1POLBALDH1A1
SCHEMBL9015895 0.74 KMT2A (0.42) GAACYP1A2L3MBTL1POLBALDH1A1
SCHEMBL17226156 0.72 CYP1A2 (0.38) GAACYP1A2MTNR1AMTNR1B
SCHEMBL11599011 0.72 ALDH1A1 (0.41) GAACYP1A2POLBALDH1A1LMNA
SCHEMBL10712715 0.72 ALDH1A1 (0.41) GAACYP1A2L3MBTL1POLBALDH1A1

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
WO-2000051969-A1 OXYALKYLENE-SUBSTITUTED m-AMIDOANILINE INTERMEDIATE MILLIKEN & CO. (US) 2000-09-08 WO disclosed
US-6069276-A Oxyalkylene-substituted m-amidoaniline intermediate MILLIKEN & COMPANY (US) 2000-05-30 US disclosed