SCHEMBL5572508

SCHEMBL5572508

O=Cc1ccc(C=Cc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.76
RAB9A P51151 13/20 0.76
KMT2A Q03164 12/20 0.76
MEN1 O00255 11/20 0.76
KDM4E B2RXH2 10/20 0.76
ALDH1A1 P00352 8/20 0.76
SMN1; SMN2 Q16637 5/20 0.76
HPGD P15428 4/20 0.76
PKM P14618 3/20 0.76
HSP90AA1 P07900 1/20 0.76
MAPT P10636 10/20 0.72
LMNA P02545 5/20 0.72
GAA P10253 4/20 0.72
GLA P06280 2/20 0.72
TP53 P04637 1/20 0.72
HTT P42858 3/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL5572505 1.00 NPC1 (0.76) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL31305038 0.92 NPC1 (0.89) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL537905 0.86 NPC1 (1.00) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL537904 0.86 NPC1 (1.00) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL29660212 0.86 NPC1 (1.00) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1086985 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL1086983 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL29539476 0.84 ALDH1A1 (0.81) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL8548892 0.84 NPC1 (1.00) NPC1RAB9AKMT2AMEN1KDM4E
SCHEMBL8547925 0.84 NPC1 (0.76) NPC1RAB9AKMT2AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115215839-A Indolyl benzimidazole near-infrared fluorescent dye and preparation method and application thereof 南京林业大学 2022-10-21 CN claimed
CN-115215839-B Indolyl benzimidazole near-infrared fluorescent dye and preparation method and application thereof 南京林业大学 2023-10-20 CN disclosed
CN-115215839-A Indolyl benzimidazole near-infrared fluorescent dye and preparation method and application thereof 南京林业大学 2022-10-21 CN disclosed
US-20070292803-A1 Optical recording medium and recording method thereof KABUSHIKI KAISHA TOSHIBA (JP) 2007-12-20 US disclosed
EP-1865502-A2 Optical recording medium and recording method thereof Kabushiki Kaisha Toshiba (JP) 2007-12-12 EP disclosed