SCHEMBL27770215

SCHEMBL27770215

NCc1ccc(-c2cc(N)ccc2C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.45
HRH3 Q9Y5N1 1/20 0.42
TAAR1 Q96RJ0 3/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
KLKB1 P03952 1/20 0.36
AKT2 P31751 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP19A1 P11511 2/20 0.34
CYP17A1 P05093 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
CSNK2A1 P68400 1/20 0.33
ADRB2 P07550 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL27884045 0.86 NOS3 (0.40) LOXL2TAAR1NOS3NOS1NOS2
SCHEMBL28244722 0.82 TAAR1 (0.49) HRH3TAAR1KLKB1CSNK2A1TDP1
SCHEMBL6625941 0.79 KMT2A (0.46) TAAR1CYP3A4ALDH1A1TSHRTDP1
SCHEMBL27547932 0.77 TAAR1 (0.50) LOXL2HRH3TAAR1CSNK2A1ADRB2
SCHEMBL27660026 0.77 LOXL2 (0.60) LOXL2HRH3TAAR1KLKB1AKT2
SCHEMBL27503727 0.77 LOXL2 (0.54) LOXL2HRH3TAAR1KLKB1AKT2
SCHEMBL27874489 0.75 HRH3 (0.43) LOXL2HRH3TAAR1AKT2CSNK2A1
SCHEMBL9058049 0.74 ERN1 (0.39) CYP3A4ALDH1A1TSHRTDP1ERN1
SCHEMBL6573760 0.74 BACE1 (0.54) LOXL2HRH3TAAR1KLKB1CA1
SCHEMBL27602709 0.73 LOXL2 (0.54) LOXL2HRH3TAAR1KLKB1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101429131-B Synthesis of N,N-di(4-methyl phenyl)-4-(2, 2-diphenylethyllene)aniline BEIJING ODYSSEY CHEMICALS CO LTD 2011-03-23 CN claimed
CN-101429131-A Synthesis of N,N-di(4-methyl phenyl)-4-(2, 2-diphenylethyllene)aniline BEIJING ODYSSEY CHEMICALS CO L (CN) 2009-05-13 CN claimed
CN-101429131-B Synthesis of N,N-di(4-methyl phenyl)-4-(2, 2-diphenylethyllene)aniline BEIJING ODYSSEY CHEMICALS CO LTD 2011-03-23 CN disclosed
CN-101429131-A Synthesis of N,N-di(4-methyl phenyl)-4-(2, 2-diphenylethyllene)aniline BEIJING ODYSSEY CHEMICALS CO L (CN) 2009-05-13 CN disclosed