SCHEMBL5456620

SCHEMBL5456620

OCCOc1c(Br)cc(Br)c2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.58
ALDH1A1 P00352 5/20 0.58
MAPT P10636 5/20 0.58
RXFP1 Q9HBX9 3/20 0.58
MEN1 O00255 6/20 0.55
KMT2A Q03164 6/20 0.55
HTT P42858 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
TDP1 Q9NUW8 3/20 0.55
TP53 P04637 3/20 0.55
HSP90AA1 P07900 3/20 0.55
USP2 O75604 1/20 0.55
LMNA P02545 5/20 0.52
NPSR1 Q6W5P4 4/20 0.52
POLB P06746 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 3/20 0.41

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
SCHEMBL6474403 0.81 KDM4E (0.54) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL5451976 0.80 KDM4E (0.54) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL30834980 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL30835003 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL19819285 0.78 KDM4E (0.51) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL620812 0.78 KDM4E (0.57) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL28886094 0.76 KDM4E (0.56) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL5338579 0.75 KDM4E (0.58) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL10804146 0.74 MEN1 (0.48) KDM4EALDH1A1MAPTRXFP1MEN1
SCHEMBL4455766 0.74 KDM4E (0.53) KDM4EALDH1A1MAPTRXFP1MEN1

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
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US claimed
CN-116375683-A Diazole derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-07-04 CN disclosed
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US disclosed
US-20070270461-A1 Fungicide VALENT BIOSCIENCES CORPORATION 2007-11-22 US disclosed