SCHEMBL7340237

SCHEMBL7340237

O=C1c2ccccc2C(=O)N1C(CCCBr)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
HSD17B10 Q99714 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TNF P01375 6/20 0.43
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
NFKB1 P19838 1/20 0.42
APEX1 P27695 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7343840 0.84 TNF (0.52) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL10323079 0.80 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL14587405 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL10447019 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL4770286 0.80 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL10323080 0.80 TNF (0.62) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL5834090 0.79 CASP3 (0.53) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL10568655 0.76 ALDH1A1 (0.68) ALDH1A1HSD17B10L3MBTL1KDM4ETP53
SCHEMBL10448820 0.76 ALDH1A1 (0.47) ALDH1A1HSD17B10L3MBTL1TNFKDM4E
SCHEMBL16322141 0.76 MEN1 (0.58) ALDH1A1HSD17B10L3MBTL1TNFKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0252928-A1 PHOSPHINYLALKANOYL IMINO ACIDS SCHERING CORPORATION (US) 1988-01-20 EP disclosed
EP-0224067-A1 Phosphinylalkanoyl amino acids SCHERING CORPORATION (US) 1987-06-03 EP disclosed
WO-1987002669-A1 PHOSPHINYLALKANOYL IMINO ACIDS SCHERING CORPORATION (US) 1987-05-07 WO disclosed
US-4634689-A HYPOTENSIVE AGENTS SCHERING CORPORATION (US) 1987-01-06 US disclosed