SCHEMBL22103808

SCHEMBL22103808

COc1cccc(NC(=O)Nc2cccc(C)c2)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.74
TSHR P16473 1/20 0.74
MAPT P10636 9/20 0.72
KMT2A Q03164 7/20 0.72
MEN1 O00255 6/20 0.72
ALDH1A1 P00352 5/20 0.72
RAB9A P51151 9/20 0.68
NPC1 O15118 7/20 0.68
MITF O75030 1/20 0.68
SMN1; SMN2 Q16637 6/20 0.68
HTT P42858 5/20 0.66
LMNA P02545 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
MAPK1 P28482 2/20 0.65
STAT1 P42224 1/20 0.65
CASP3 P42574 1/20 0.65
SENP7 Q9BQF6 1/20 0.65
SENP6 Q9GZR1 1/20 0.65
KCNK3 O14649 1/20 0.65
KCNK9 Q9NPC2 1/20 0.65

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
SCHEMBL31040569 0.92 TP53 (0.87) TP53TSHRMAPTKMT2AMEN1
SCHEMBL4893387 0.92 TP53 (0.87) TP53TSHRMAPTKMT2AMEN1
SCHEMBL17084260 0.90 TP53 (0.84) TP53TSHRMAPTKMT2AMEN1
SCHEMBL5852120 0.89 TP53 (0.82) TP53TSHRMAPTKMT2AMEN1
SCHEMBL22103809 0.89 TP53 (0.77) TP53TSHRMAPTKMT2AMEN1
SCHEMBL14442613 0.87 TP53 (0.84) TP53TSHRMAPTKMT2AMEN1
SCHEMBL4416620 0.86 SMN1; SMN2 (0.77) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL29703055 0.86 SMN1; SMN2 (0.77) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL6566850 0.84 MAPT (0.73) TP53TSHRMAPTKMT2AMEN1
SCHEMBL4118285 0.84 CA2 (0.64) TP53TSHRMAPTKMT2AMEN1

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
WO-2020123675-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER DUKE UNIVERSITY (US) 2020-06-18 WO disclosed