SCHEMBL903530

SCHEMBL903530

COc1ccc(-c2cc3cc(OC)ccc3[nH]2)c(O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
NPC1 O15118 1/20 0.60
MAPT P10636 1/20 0.60
RAB9A P51151 1/20 0.60
AXL P30530 1/20 0.56
CA2 P00918 2/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
PDGFRB P09619 2/20 0.54
PDGFRA P16234 2/20 0.54
HPN P05981 1/20 0.53
NOTUM Q6P988 1/20 0.53
AURKA O14965 1/20 0.51
KDR P35968 1/20 0.51
ITK Q08881 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
GAA P10253 2/20 0.49

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
SCHEMBL903538 0.90 FLT3 (0.58) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL11650959 0.88 RAB9A (0.63) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL10793244 0.83 KDM4E (0.72) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL6245990 0.80 AXL (0.51) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL903541 0.80 KDM4E (0.52) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL4264688 0.78 KDM4E (0.81) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL19889776 0.78 CDK5 (0.51) KDM4EMEN1KMT2AMAPTCA2
SCHEMBL9469072 0.77 KDM4E (0.64) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL6118322 0.77 RAB9A (0.64) KDM4EMEN1KMT2ANPC1MAPT
SCHEMBL31185862 0.77 KDM4E (0.56) KDM4EMEN1KMT2ANPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012041014-A1 TETRACYCLIC INDOLE DERIVATIVES FOR TREATING HEPATITIS C VIRUS INFECTION MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed
WO-2012040923-A1 TETRACYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed