SCHEMBL15855336

SCHEMBL15855336

c1cc(-c2cccc(-c3nccc(-c4cccc(-c5ccc6oc7ccccc7c6c5)c4)n3)c2)cc(-c2ccc3oc4cnccc4c3c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM3 Q86V86 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ PLA2G2A P14555 3/20 0.38
▸ PLA2G4A P47712 3/20 0.38
▸ PLA2G10 O15496 1/20 0.38
▸ PGR P06401 1/20 0.37

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
SCHEMBL15855326 0.96 NPC1 (0.40) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15855288 0.93 NPC1 (0.40) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15855339 0.92 PLA2G2A (0.41) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15835986 0.92 DYRK1B (0.38) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15855183 0.92 MAPT (0.46) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15836086 0.89 ROCK1 (0.35) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15855273 0.88 NPC1 (0.40) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15835992 0.88 DYRK1B (0.36) NPC1MAPTKDM4ERAB9ASMN1; SMN2
SCHEMBL15855347 0.88 PGR (0.43) RAB9AMEN1KMT2APIM1PIM2
SCHEMBL15855330 0.88 PGR (0.43) RAB9AMEN1KMT2APIM1PIM2

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-9537111-B2 Compound, material for organic electroluminescence device, and organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2017-01-03 — — US disclosed
US-20140183486-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2014-07-03 — — US disclosed
US-20140183486-A1 NOVEL COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE DEVICE, AND ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD (JP) 2014-07-03 — — US disclosed
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