SCHEMBL11233244

SCHEMBL11233244

O=C(CCn1cccc1)Nc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.68
MEN1 O00255 4/20 0.68
TSHR P16473 3/20 0.64
HPGD P15428 1/20 0.61
LMNA P02545 2/20 0.59
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 2/20 0.59
HTT P42858 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL11181159 0.81 ALDH1A1 (0.72) KMT2AMEN1TSHRHPGDLMNA
SCHEMBL7313601 0.81 ALDH1A1 (0.67) KMT2AMEN1LMNAALDH1A1POLB
SCHEMBL3342586 0.80 L3MBTL1 (0.80) HPGDALDH1A1MAPTHTTCYP2C19
SCHEMBL517309 0.77 HDAC4 (0.81)
SCHEMBL6296181 0.77 HDAC4 (0.75) MAPTHTTL3MBTL1
SCHEMBL10923259 0.76 KMT2A (0.61) KMT2AMEN1TSHRHPGDLMNA
SCHEMBL4594453 0.76 HDAC8 (0.68) MAPTHTTL3MBTL1
SCHEMBL137348 0.75 HDAC4 (0.85)
SCHEMBL1065393 0.75 HDAC4 (0.85)
SCHEMBL6669511 0.75 HDAC4 (0.85)

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-4340418-A Herbicidal agents based on N-azolylmethylacetanilides and cyclohexane-1,3-dione derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed
US-4340418-A Herbicidal agents based on N-azolylmethylacetanilides and cyclohexane-1,3-dione derivatives BASF AKTIENGESELLSCHAFT (DE) 1982-07-20 US disclosed