SCHEMBL9680327

SCHEMBL9680327

COc1cc(OC)c(NC(=O)CNC(c2ccccc2)c2ccccc2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.70
MEN1 O00255 9/20 0.67
TDP1 Q9NUW8 1/20 0.55
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL9679742 0.81 KMT2A (0.60) KMT2AMEN1TDP1
SCHEMBL25681698 0.80 KMT2A (0.82) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL9680704 0.78 KMT2A (0.72) KMT2AMEN1TDP1
SCHEMBL25681470 0.77 KMT2A (0.63) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL9681089 0.77 KMT2A (0.57) KMT2AMEN1TDP1LMNA
SCHEMBL9679661 0.75 KMT2A (0.77) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL5797214 0.75 MEN1 (0.51) KMT2AMEN1
SCHEMBL9754199 0.74 ALDH1A1 (0.53) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9678877 0.74 TDP1 (0.58) KMT2AMEN1TDP1ALDH1A1LMNA
SCHEMBL9679252 0.73 KMT2A (0.66) KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed