SCHEMBL4359482

SCHEMBL4359482

Cc1ccnc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.42
▸ CCR5 P51681 1/20 0.42
▸ CCR8 P51685 1/20 0.42
▸ METAP2 P50579 3/20 0.36
▸ METAP1 P53582 2/20 0.35
▸ CBFB Q13951 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2A6 P11509 1/20 0.33
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ UHRF1 Q96T88 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NOS3 P29474 1/20 0.30

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
SCHEMBL27899516 0.83 NOS3 (0.35) STAT3STAT1NOS3NOS1NOS2
Iodide SCHEMBL11338884 0.81 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
SCHEMBL460723 0.81 NPC1 (0.41) METAP2METAP1CBFBNPC1PKM
SCHEMBL4359475 0.81 STAT3 (0.49) CCR1CCR5CCR8METAP2METAP1
SCHEMBL28446738 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
SCHEMBL31229487 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
SCHEMBL31678981 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
SCHEMBL28757530 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
Iodide SCHEMBL11325081 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM
SCHEMBL6071532 0.80 NPC1 (0.40) METAP2METAP1CBFBNPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101601635-A The prescription of little RNA/DNA whitening product and manufacture method QINWEI YIN (CN) 2009-12-16 — — CN disclosed
WO-2009011697-A1 RNA OLIGONUCLEOTIDES TARGETING EBV AND HOST GENES AND THEIR USE FOR TREATMENT OF NASOPHARYNGEAL CARCINOMAS OLIGOS ETC. INC. (US) 2009-01-22 — — WO disclosed
EP-1093373-A4 OLIGONUCLEOTIDE INHIBITORS OF bcl-xL UNIV COLUMBIA (US) 2005-04-13 — — EP disclosed
CN-1506041-A Formulation and making process of genetic skin beautifying and whitening cosmetics 殷冬生 2004-06-23 — — CN disclosed
CN-1427008-A Method of designing and selecting natural siRNA as gene medicine and medicine formulation YIN DONGSHENG (CN) 2003-07-02 — — CN disclosed
EP-1093373-A1 OLIGONUCLEOTIDE INHIBITORS OF bcl-xL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2001-04-25 — — EP disclosed
WO-2000001393-A2 OLIGONUCLEOTIDE INHIBITORS OF bcl-xL THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2000-01-13 — — WO disclosed
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