SCHEMBL17779595

SCHEMBL17779595

c1ccc2c(c1)ccn2-c1ccc2oc3ccc(-n4c5ccccc5c5ccccc54)cc3c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC5 O15392 1/20 0.45
MAOB P27338 4/20 0.42
MAOA P21397 1/20 0.42
KDM4E B2RXH2 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
PRKD3 O94806 1/20 0.35
PRKCG P05129 1/20 0.35
PRKCB P05771 1/20 0.35
PRKCA P17252 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 1/20 0.35
PRKACB P22694 1/20 0.35
PRKCH P24723 1/20 0.35
PRKCI P41743 1/20 0.35
PRKCE Q02156 1/20 0.35
PRKCQ Q04759 1/20 0.35
PRKCZ Q05513 1/20 0.35
PRKCD Q05655 1/20 0.35
PRKD1 Q15139 1/20 0.35

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
SCHEMBL16482271 0.97 BIRC5 (0.43) BIRC5MAOBMAOAKDM4EL3MBTL1
SCHEMBL17779393 0.91 BIRC5 (0.53) BIRC5MAOBMAOAKDM4EL3MBTL1
SCHEMBL5028280 0.85 KDM4E (0.52) MAOAKDM4EL3MBTL1ATMMAPT
SCHEMBL29551183 0.85 KDM4E (0.52) MAOAKDM4EL3MBTL1ATMMAPT
SCHEMBL17779566 0.84 ENPP3 (0.49) BIRC5MAOBKDM4EALDH1A1GLA
SCHEMBL19131711 0.84 MAOB (0.36) BIRC5MAOBMAOAKDM4EL3MBTL1
SCHEMBL18381831 0.83 KDM4E (0.50) MAOAKDM4EL3MBTL1ATMMAPT
SCHEMBL17779392 0.83 BIRC5 (0.45) BIRC5MAOBMAOAL3MBTL1PRKD3
SCHEMBL10042654 0.83 BIRC5 (0.47) BIRC5KDM4EL3MBTL1ATMPRKD3
SCHEMBL16597793 0.82 KDM4E (0.50) BIRC5MAOBKDM4EL3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016079667-A1 INDOLE DERIVATIVES FOR ELECTRONIC APPLICATIONS IDEMITSU KOSAN CO., LTD. (JP) 2016-05-26 WO disclosed