SCHEMBL4748546

SCHEMBL4748546

Oc1ccnc2ccc(Oc3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.49
LTA4H P09960 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
LMNA P02545 1/20 0.43
ACHE P22303 5/20 0.42
BCHE P06276 4/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GCK P35557 1/20 0.40
PDGFRB P09619 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
SCHEMBL8603380 0.87 ERBB2 (0.46) ERBB2LTA4HNR1H2BAXNPC1
SCHEMBL28876974 0.81 PDGFRB (0.51) LMNAACHEBCHEKDM4EMAPK1
SCHEMBL4744679 0.81 ERBB2 (0.49) ERBB2LTA4HLMNAACHEBCHE
SCHEMBL10251583 0.81 NCF1 (0.53) ERBB2LMNAACHEBCHENPC1
SCHEMBL1486580 0.80 IP6K1 (0.56) ERBB2LMNAKDM4EMAPK1NPSR1
SCHEMBL32684711 0.80 LMNA (0.69) ERBB2LMNAKDM4EMAPK1NPSR1
SCHEMBL591852 0.78 LMNA (0.62) LMNAKDM4EMAPK1NPSR1MAPT
SCHEMBL3649291 0.76 L3MBTL1 (0.50) LTA4HNR1H2BAXACHEBCHE
SCHEMBL27577248 0.75 MTNR1A (0.43) LMNAKDM4EMAPK1NPSR1MAPT
SCHEMBL3691354 0.75 ALDH1A1 (0.48) LMNAKDM4EMAPK1NPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008117079-A1 ANTIMICROBIAL COMPOUNDS BASED UPON 4-AMINOQUINOLINE HELPERBY THERAPEUTICS LIMITED (GB) 2008-10-02 WO disclosed
US-20030219427-A1 TPL-2/COT kinase and methods of use MEDICAL RESEARCH COUNCIL (GB) 2003-11-27 US disclosed
US-20020099169-A1 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLCHAFT 2002-07-25 US disclosed
EP-1105501-A2 TPL-2/COT KINASE AND METHODS OF USE BASF Aktiengesellschaft (US) 2001-06-13 EP disclosed
WO-2000011191-A2 TPL-2/COT KINASE AND METHODS OF USE BASF AKTIENGESELLSCHAFT (US) 2000-03-02 WO disclosed