SCHEMBL9766046

SCHEMBL9766046

COC(=O)Cc1cc(=O)[nH]c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
KMT2A Q03164 8/20 0.55
MEN1 O00255 5/20 0.55
GAA P10253 2/20 0.55
EGFR P00533 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50

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
SCHEMBL29063256 0.86 EGFR (0.56) L3MBTL1KMT2AMEN1GAAEGFR
SCHEMBL9155169 0.83 KMT2A (0.51) L3MBTL1KMT2AMEN1GAAEGFR
SCHEMBL9159365 0.83 KDM4E (0.49) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL9156787 0.83 ALDH1A1 (0.50) KMT2AMEN1GAASMN1; SMN2ALDH1A1
SCHEMBL9157731 0.82 KMT2A (0.50) L3MBTL1KMT2AMEN1GAAEGFR
SCHEMBL8369457 0.82 KDM4E (0.59) L3MBTL1KMT2AMEN1GAAALDH1A1
SCHEMBL9157138 0.82 EGFR (0.44) KMT2AMEN1GAAEGFRSMN1; SMN2
SCHEMBL9766070 0.82 PARP1 (0.45) KMT2AMEN1GAAALDH1A1KDM4E
SCHEMBL31376496 0.81 ALDH1A1 (0.59) KMT2AMEN1GAAEGFRSMN1; SMN2
SCHEMBL8366302 0.81 ALDH1A1 (0.59) KMT2AMEN1GAAEGFRSMN1; SMN2

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-4983607-A ANTISEROTONINERGIC ACTIVITY SYNTHELABO (FR) 1991-01-08 US disclosed