SCHEMBL11246385

SCHEMBL11246385

COc1cccc(C(=O)Nc2ccccc2NC(=O)c2cccc(OC)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
RAB9A P51151 8/20 0.81
SMN1; SMN2 Q16637 6/20 0.81
NPC1 O15118 7/20 0.74
KCNK3 O14649 1/20 0.70
KCNK9 Q9NPC2 1/20 0.70
GFER P55789 1/20 0.69
ABCB1 P08183 1/20 0.69
TSHR P16473 2/20 0.68
F10 P00742 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
POLB P06746 1/20 0.68
HTT P42858 1/20 0.68
RXFP1 Q9HBX9 1/20 0.67
MAPT P10636 1/20 0.66
KDM4E B2RXH2 1/20 0.66
TP53 P04637 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66

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
SCHEMBL6798428 0.91 MEN1 (0.83) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL29808279 0.91 MEN1 (0.83) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL12077495 0.91 MEN1 (0.83) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5928817 0.88 TSHR (0.80) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL21829023 0.88 KMT2A (0.78) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL14075227 0.88 MEN1 (0.78) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL28397053 0.88 KMT2A (0.78) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL29278946 0.87 MEN1 (0.76) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL882567 0.87 MEN1 (0.76) MEN1KMT2ARAB9ASMN1; SMN2NPC1
SCHEMBL5226157 0.85 NPC1 (1.00) MEN1KMT2ARAB9ASMN1; SMN2NPC1

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-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed