SCHEMBL13461097

SCHEMBL13461097

C=C(/C=C(\N=C(/N)c1ccccc1)c1ccc(Br)cc1)c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ NPC1 O15118 10/20 0.41
▸ RAB9A P51151 10/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ PKM P14618 4/20 0.40
▸ CDK5 Q00535 3/20 0.40
▸ CDK5R1 Q15078 3/20 0.40
▸ MITF O75030 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PAX8 Q06710 2/20 0.36
▸ POLB P06746 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
SCHEMBL22812715 0.72 SMN1; SMN2 (0.43) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL12655605 0.70 NPC1 (0.35) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL21870985 0.68 MAPT (0.34) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30041522 0.68 TLR7 (0.57) MAPTKDM4ECASP3SENP8SENP7
SCHEMBL23535836 0.68 TLR7 (0.57) MAPTKDM4ECASP3SENP8SENP7
SCHEMBL16383190 0.68 SMN1; SMN2 (0.47) MAPTNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL22947616 0.64 ALDH1A1 (0.52) MAPTKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL13448623 0.63 NPC1 (0.41) MAPTKDM4ECASP3SENP8SENP7
SCHEMBL21871024 0.63 NPC1 (0.40) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL12435375 0.63 ESR1 (0.34) MAPTNPC1RAB9APKML3MBTL1

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
EP-2169028-A2 Material for organic electroluminescent devices and organic electroluminescent devices made by using the same Idemitsu Kosan Co., Ltd. (JP) 2010-03-31 — — EP disclosed
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