SCHEMBL7541400

SCHEMBL7541400

CN(CCCC(=O)O)c1ccc(Br)cc1C=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
ERN1 O75460 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
MMP14 P50281 1/20 0.36
FFAR4 Q5NUL3 4/20 0.36
GAA P10253 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CTDSP1 Q9GZU7 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
SCHEMBL5549984 0.96 PTGDR2 (0.45) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL5551206 0.95 PTGDR2 (0.44) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL7543969 0.86 EGFR (0.41) PTGDR2ERN1KMT2AMEN1KDM4E
SCHEMBL7684624 0.85 PTGDR2 (0.45) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL7541512 0.84 PTGDR2 (0.42) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL6343551 0.84 PTGDR2 (0.42) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL7541385 0.84 ALDH1A1 (0.44) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL6350449 0.84 ALDH3A1 (0.46) PTGDR2ERN1KMT2AMEN1HTT
SCHEMBL5207046 0.83 PTGDR2 (0.39) PTGDR2ERN1KMT2AKDM4EMAPT
SCHEMBL6517350 0.82 PTGDR2 (0.40) PTGDR2ERN1KMT2AMEN1HTT

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-1211239-A1 PROCESS FOR THE PREPARATION OF 2,3-DIHYDROAZEPINE COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed