SCHEMBL3433222

SCHEMBL3433222

CCOc1ccc(-n2nnc3cc(N(Cc4ccc(CC)cc4)c4ccc5c(c4)nnn5-c4ccc(OCC)cc4)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.38
KDM4E B2RXH2 5/20 0.38
MAPT P10636 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
EIF2AK4 Q9P2K8 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CNR2 P34972 2/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOTUM Q6P988 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2067352 0.78 MAPT (0.59) KDM4EMAPTHSD17B10HTTHPGD
SCHEMBL19829473 0.67 SLC9A1 (0.50) KDM4EMAPTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL2069427 0.67 MAPT (0.47) CACNA2D1KDM4EMAPTHSD17B10HTT
SCHEMBL30547571 0.66 MAPK6 (0.38) KDM4EMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL26908029 0.66 MAPK6 (0.38) KDM4EMAPTHPGDL3MBTL1ALDH1A1
SCHEMBL31423 0.64 NQO1 (0.74) KDM4EMAPTHPGDSMN1; SMN2ALDH1A1
SCHEMBL26503115 0.64 NPSR1 (0.39) KDM4EHPGDL3MBTL1ALDH1A1NPC1
SCHEMBL14456522 0.64 RXRA (0.48) KDM4EMAPTL3MBTL1NPC1
SCHEMBL14400496 0.63 RXRA (0.60)
Hydrochloric Acid SCHEMBL29769999 0.63 RAB9A (0.39) KDM4EMAPTHSD17B10HPGDL3MBTL1

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-2182805-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION Siga Technologies, Inc. (US) 2010-05-12 EP claimed
WO-2009029622-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-03-05 WO claimed
EP-2182805-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION Siga Technologies, Inc. (US) 2010-05-12 EP disclosed
WO-2009029622-A2 ANTIVIRAL DRUGS FOR TREATMENT OF ARENAVIRUS INFECTION SIGA TECHNOLOGIES, INC. (US) 2009-03-05 WO disclosed