SCHEMBL9707136

SCHEMBL9707136

CCN(CC)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)oc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 1/20 0.45
NR4A2 P43354 7/20 0.42
NPC1 O15118 5/20 0.42
KDM4E B2RXH2 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2C19 P33261 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPK14 Q16539 2/20 0.42
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42

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
SCHEMBL9707139 1.00 NOX1 (0.45) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL15437400 0.95 MAPK13 (0.46) NR4A2NPC1KDM4ERAB9AMAPT
SCHEMBL8648399 0.95 MAPK13 (0.46) NR4A2NPC1KDM4ERAB9AMAPT
SCHEMBL9246250 0.91 KDM4E (0.43) NR4A2NPC1KDM4ERAB9AMAPT
SCHEMBL19700319 0.91 NOX1 (0.52) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL4651367 0.91 NOX1 (0.52) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL6964144 0.91 NOX1 (0.52) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL8172158 0.91 NOX1 (0.52) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL9707189 0.90 KMT2A (0.46) NOX1NR4A2NPC1KDM4ERAB9A
SCHEMBL9621032 0.89 MAPK14 (0.45) NPC1KDM4ERAB9AMAPTALDH1A1

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
EP-0218422-B1 SEMICONDUCTOR LIGHT-EMITTING ELEMENT KABUSHIKI KAISHA TOSHIBA (JP) 1992-09-16 EP disclosed
US-4819057-A METAL-ORGANIC FILMS-SEMICONDUCTOR JUNCTION KABUSHIKI KAISHA TOSHIBA (JP) 1989-04-04 US disclosed
EP-0218422-A2 Semiconductor light-emitting element KABUSHIKI KAISHA TOSHIBA (JP) 1987-04-15 EP disclosed