SCHEMBL1849254

SCHEMBL1849254

CNC(=O)OC1(C(C)(C)C)CCC(C(=O)Nc2c(C(N)=O)oc3ccc(Br)cc23)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MAPT P10636 6/20 0.45
TSHR P16473 7/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 5/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
RXFP1 Q9HBX9 1/20 0.35
LMNA P02545 1/20 0.35
DHODH Q02127 1/20 0.35
ALOX15 P16050 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL1849253 1.00 KMT2A (0.45) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1853887 0.83 ALDH1A1 (0.48) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL4277750 0.78 ALDH1A1 (0.51) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1849605 0.78 ALDH1A1 (0.47) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1851581 0.77 NPC1 (0.51) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL4272956 0.76 KMT2A (0.48) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1850058 0.76 ALDH1A1 (0.48) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1853886 0.75 ALDH1A1 (0.48) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1853485 0.75 TSHR (0.46) KMT2AMAPTTSHRALDH1A1KDM4E
SCHEMBL1853482 0.74 ALDH1A1 (0.46) KMT2AMAPTTSHRALDH1A1KDM4E

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
EP-2097419-B1 BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS EXELIXIS INC (US) 2011-05-25 EP disclosed