SCHEMBL7148767

SCHEMBL7148767

CCc1ccc(C(=O)Nc2nc3c(OC)ccc(-c4ccccc4)n3n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
PDE4D Q08499 14/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPK13 O15264 1/20 0.43
LIMK1 P53667 1/20 0.43
MARK2 Q7KZI7 1/20 0.43

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
SCHEMBL6870164 0.91 KDM4E (0.58) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7140763 0.89 MAPT (0.68) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7042283 0.88 MAPT (0.56) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7039193 0.88 LMNA (0.61) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7041864 0.85 HDAC6 (0.44) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7045952 0.83 TDP2 (0.52) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7149095 0.82 MAPT (0.54) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7143995 0.81 ADORA1 (0.53) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7146900 0.81 PDE4D (0.50) KDM4EMAPTPDE4DNPC1RAB9A
SCHEMBL7145323 0.80 PDE4D (0.48) KDM4EMAPTPDE4DNPC1RAB9A

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-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed
US-6514989-B1 Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor HOFFMANN-LA ROCHE INC. 2003-02-04 US disclosed