SCHEMBL5451976

SCHEMBL5451976

COC(=O)CCOc1c(Br)cc(Br)c2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 4/20 0.54
RXFP1 Q9HBX9 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
NPSR1 Q6W5P4 2/20 0.54
POLB P06746 1/20 0.54
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 3/20 0.48
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALOX12 P18054 4/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL5456620 0.80 KDM4E (0.58) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL620812 0.76 KDM4E (0.57) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL11089239 0.75 ALDH1A1 (0.59) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL10804146 0.75 MEN1 (0.48) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL6474403 0.74 KDM4E (0.54) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL10339532 0.73 ALDH1A1 (0.48) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL18095730 0.73 ALDH1A1 (0.59) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL11082680 0.72 ALDH1A1 (0.50) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL9442885 0.72 ALDH1A1 (0.58) KDM4EALDH1A1RXFP1MAPTMEN1
SCHEMBL5334669 0.72 KDM4E (0.46) KDM4EALDH1A1RXFP1MAPTMEN1

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
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US claimed
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US disclosed
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US disclosed