SCHEMBL8701794

SCHEMBL8701794

O=C(CCc1c[nH]c2ccccc12)NCc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
GFER P55789 1/20 0.52
POLB P06746 2/20 0.51
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.49
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.48
GAA P10253 1/20 0.48
GSK3B P49841 1/20 0.47
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44

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
SCHEMBL8701530 0.82 CDK4 (0.48) KMT2AMEN1GFERLMNASMN1; SMN2
SCHEMBL8696236 0.80 LMNA (0.66) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL4609709 0.79 LTB4R2 (0.60) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL9421652 0.78 AOC3 (0.43) KMT2AMEN1LMNAHPGDALDH1A1
SCHEMBL6484182 0.78 MMP1 (0.50) MAPTGAAHTT
SCHEMBL8792800 0.78 CDK4 (0.43) KMT2AMEN1NPSR1GFERLMNA
SCHEMBL7838803 0.78 LMNA (0.76) KMT2AMEN1NPSR1GFERPOLB
SCHEMBL6495989 0.78 MAPT (0.45) MAPTGAAHTT
SCHEMBL6491342 0.77 GHSR (0.53) MAPTGAAHTT
SCHEMBL8792189 0.77 GHSR (0.53) MAPTGAAHTT

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
US-5726319-A Biphenyl substituted dipeptide analogs promote release of growth hormone MERCK & CO., INC. (US) 1998-03-10 US claimed